2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile

C19H12N6O2 — CID 73353825

IUPAC2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N
InChIInChI=1S/C19H12N6O2/c20-10-14-13(11-5-7-12(8-6-11)25(26)27)9-17(22-18(14)21)19-23-15-3-1-2-4-16(15)24-19/h1-9H,(H2,21,22)(H,23,24)
InChIKeyUAQDQQIJUIPFNF-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.65
Rot. Bonds3

About 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile

2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 73353825) has the molecular formula C19H12N6O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID73353825
Molecular FormulaC19H12N6O2
Molecular Weight356.35 g/mol
Exact Mass356.10
IUPAC Name2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N
InChIInChI=1S/C19H12N6O2/c20-10-14-13(11-5-7-12(8-6-11)25(26)27)9-17(22-18(14)21)19-23-15-3-1-2-4-16(15)24-19/h1-9H,(H2,21,22)(H,23,24)
InChIKeyUAQDQQIJUIPFNF-UHFFFAOYSA-N
XLogP3.65
TPSA134.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-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

Related Compounds

2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 73347759
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
CID 73346261
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 73349311
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 5209410
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)-2-pyridinyl]phenyl]oxadiazol-3-ium-5-olate
CID 11361572

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile (CID 73353825) is 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N.
What is the InChIKey of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is UAQDQQIJUIPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O2/c20-10-14-13(11-5-7-12(8-6-11)25(26)27)9-17(22-18(14)21)19-23-15-3-1-2-4-16(15)24-19/h1-9H,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 356.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 73353825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).