N-[[4-(4-cyanophenyl)phenyl]methyl]-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (CED0276194)

Record Information

Version

1.0

Creation Date

2026-08-30 03:23:13 UTC

Update Date

2026-08-30 03:23:13 UTC

SynCED ID

CED0276194

Secondary Accession Numbers

CHEM321451

Identification

Common Name

N-[[4-(4-cyanophenyl)phenyl]methyl]-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

Class

Small Molecule

Description

N-[[4-(4-cyanophenyl)phenyl]methyl]-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is a chemical compound with the formula C21H16N2O4 and an average molecular weight of 360.40 g/mol. This substance has been identified in or released from four recorded sources, which include antennas, electric hearing aids, line transmission systems, and video games, all of which fall under the category of electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₁₆N₂O₄

Average Molecular Mass

Not Available

Monoisotopic Mass

360.111 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC(=O)C(=C(O1)C(=O)NCC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

InChI Identifier

InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)

InChI Key

NAYVOTYJJPROOM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2364.0 Log mg/kg [1300:4200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	Not Available
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	Not Available
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	Not Available
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	Not Available
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000697	Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.	Marine, shipping & aquaculture	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.755 Statistical Significance 0.0071 Supporting Reference Compounds 136 E-value 55.4286
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.755 Statistical Significance 0.0128 Supporting Reference Compounds 176 E-value 99.3356
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.755 Statistical Significance 0.0193 Supporting Reference Compounds 400 E-value 150.015
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.755 Statistical Significance 0.0136 Supporting Reference Compounds 198 E-value 105.564
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.371 Statistical Significance 0.0899 Supporting Reference Compounds 711 E-value 700.098
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.397 Statistical Significance 0.1847 Supporting Reference Compounds 1498 E-value 1437.88
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.313 Statistical Significance 0.0782 Supporting Reference Compounds 497 E-value 608.547
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.328 Statistical Significance 0.0379 Supporting Reference Compounds 269 E-value 295.282
Click to view 3D structure	Sodium channel protein type 10 subunit alpha	Q6QIY3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.397 Statistical Significance 0.0019 Supporting Reference Compounds 12 E-value 14.5578
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.296 Low confidence Statistical Significance 0.1421 Supporting Reference Compounds 782 E-value 1106.16
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.292 Low confidence Statistical Significance 0.2555 Supporting Reference Compounds 1538 E-value 1988.97
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.292 Low confidence Statistical Significance 0.1744 Supporting Reference Compounds 1130 E-value 1357.85
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.292 Low confidence Statistical Significance 0.2092 Supporting Reference Compounds 1245 E-value 1628.53
Click to view 3D structure	Signal transducer and activator of transcription 1	P42225	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.283 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 1 E-value 23.8219
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.293 Low confidence Statistical Significance 0.2248 Supporting Reference Compounds 1660 E-value 1750.44
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.306 Statistical Significance 0.0717 Supporting Reference Compounds 317 E-value 558.179
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.296 Low confidence Statistical Significance 0.1558 Supporting Reference Compounds 758 E-value 1212.66
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.29 Low confidence Statistical Significance 0.0085 Supporting Reference Compounds 96 E-value 65.8604
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.293 Low confidence Statistical Significance 0.1653 Supporting Reference Compounds 811 E-value 1287.16
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.293 Low confidence Statistical Significance 0.1661 Supporting Reference Compounds 834 E-value 1293.46
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.293 Low confidence Statistical Significance 0.2166 Supporting Reference Compounds 1130 E-value 1685.98
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.293 Low confidence Statistical Significance 0.2185 Supporting Reference Compounds 1157 E-value 1701.01
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.293 Low confidence Statistical Significance 0.1862 Supporting Reference Compounds 967 E-value 1449.63
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.293 Low confidence Statistical Significance 0.2296 Supporting Reference Compounds 1274 E-value 1787.34
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	Prediction Confidence Score 0.367 Applicability Domain 0.755 Statistical Significance 0.008 Supporting Reference Compounds 200 E-value 62.1237