2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile

C20H13N7O2 — CID 143081507

IUPAC2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile
SMILESCc1c(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cnc(Nc2ccccc2)c1C#N
InChIInChI=1S/C20H13N7O2/c1-13-17(11-22)20(24-15-5-3-2-4-6-15)23-12-19(13)26-25-18-8-7-16(27(28)29)9-14(18)10-21/h2-9,12H,1H3,(H,23,24)/b26-25+
InChIKeyHTXWARSRJGROMC-OCEACIFDSA-N
MW383.37 g/mol
LogP5.20
Rot. Bonds5

About 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile

2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile (PubChem CID 143081507) has the molecular formula C20H13N7O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile
PubChem CID143081507
Molecular FormulaC20H13N7O2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile
SMILESCc1c(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cnc(Nc2ccccc2)c1C#N
InChIInChI=1S/C20H13N7O2/c1-13-17(11-22)20(24-15-5-3-2-4-6-15)23-12-19(13)26-25-18-8-7-16(27(28)29)9-14(18)10-21/h2-9,12H,1H3,(H,23,24)/b26-25+
InChIKeyHTXWARSRJGROMC-OCEACIFDSA-N
XLogP5.20
TPSA140.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile (CID 143081507) is 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile is Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cnc(Nc2ccccc2)c1C#N.
What is the InChIKey of 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile?
The InChIKey is HTXWARSRJGROMC-OCEACIFDSA-N. The full InChI is InChI=1S/C20H13N7O2/c1-13-17(11-22)20(24-15-5-3-2-4-6-15)23-12-19(13)26-25-18-8-7-16(27(28)29)9-14(18)10-21/h2-9,12H,1H3,(H,23,24)/b26-25+.
What are the key properties of 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile?
2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile has a molecular weight of 383.37 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 143081507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).