N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide (CED0267799)

Record Information

Version

1.0

Creation Date

2026-08-29 14:52:43 UTC

Update Date

2026-08-29 14:52:43 UTC

SynCED ID

CED0267799

Secondary Accession Numbers

CHEM312861

Identification

Common Name

N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide

Class

Small Molecule

Description

N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide is a chemical compound with the formula C19H19N7O5. It has an average molecular weight of 425.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₉N₇O₅

Average Molecular Mass

Not Available

Monoisotopic Mass

425.145 g/mol

CAS Registry Number

86836-00-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)NC(=O)C

InChI Identifier

InChI=1S/C19H19N7O5/c1-4-24(5-2)14-6-7-16(17(9-14)21-12(3)27)22-23-19-13(11-20)8-15(25(28)29)10-18(19)26(30)31/h6-10H,4-5H2,1-3H3,(H,21,27)

InChI Key

NHBNDXGKNAEBAI-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
676.0 Log mg/kg [380:1200]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000648	Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.333 Statistical Significance 0.047 Supporting Reference Compounds 205 E-value 366.047
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.282 Low confidence Statistical Significance 0.1062 Supporting Reference Compounds 343 E-value 826.447
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.286 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 36 E-value 63.525
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.259 Low confidence Statistical Significance 0.0564 Supporting Reference Compounds 117 E-value 439.459
Click to view 3D structure	Krueppel-like factor 10	Q13118	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.238 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 1 E-value 39.7031
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.333 Statistical Significance 0.1344 Supporting Reference Compounds 226 E-value 1046.45
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.333 Statistical Significance 0.1346 Supporting Reference Compounds 227 E-value 1048.08
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.286 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 15 E-value 26.3909
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.261 Low confidence Statistical Significance 0.5408 Supporting Reference Compounds 1157 E-value 4210.32
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.24 Low confidence Statistical Significance 0.0642 Supporting Reference Compounds 146 E-value 500.181
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.24 Low confidence Statistical Significance 0.0153 Supporting Reference Compounds 73 E-value 119.343
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.308 Statistical Significance 0.084 Supporting Reference Compounds 128 E-value 653.856
Click to view 3D structure	Casein kinase II subunit alpha	P68400	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.242 Low confidence Statistical Significance 0.3997 Supporting Reference Compounds 593 E-value 3111.48
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.261 Low confidence Statistical Significance 0.493 Supporting Reference Compounds 906 E-value 3837.89
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.286 Low confidence Statistical Significance 0.071 Supporting Reference Compounds 115 E-value 552.729
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.261 Low confidence Statistical Significance 0.4378 Supporting Reference Compounds 599 E-value 3408.55
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.5464 Supporting Reference Compounds 967 E-value 4253.84
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.5565 Supporting Reference Compounds 1017 E-value 4332.15
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.525 Supporting Reference Compounds 782 E-value 4087.32
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.492 Supporting Reference Compounds 728 E-value 3829.95
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.4998 Supporting Reference Compounds 721 E-value 3890.9
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.5158 Supporting Reference Compounds 758 E-value 4015.77
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.5385 Supporting Reference Compounds 934 E-value 4192.1
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 2	Q12851	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.4705 Supporting Reference Compounds 657 E-value 3662.81
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.261 Low confidence Statistical Significance 0.4951 Supporting Reference Compounds 733 E-value 3854.16