2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile

C17H11N5O2 — CID 5254077

IUPAC2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2cccc([N+](=O)[O-])c2)nc1N
InChIInChI=1S/C17H11N5O2/c18-10-15-14(11-4-6-20-7-5-11)9-16(21-17(15)19)12-2-1-3-13(8-12)22(23)24/h1-9H,(H2,19,21)
InChIKeyJBGUPYIABUQPAX-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.17
Rot. Bonds3

About 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile

2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 5254077) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID5254077
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2cccc([N+](=O)[O-])c2)nc1N
InChIInChI=1S/C17H11N5O2/c18-10-15-14(11-4-6-20-7-5-11)9-16(21-17(15)19)12-2-1-3-13(8-12)22(23)24/h1-9H,(H2,19,21)
InChIKeyJBGUPYIABUQPAX-UHFFFAOYSA-N
XLogP3.17
TPSA118.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
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-(3-nitrophenyl)-4-pyridin-4-ylpyridine-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-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5259286
2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636492
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(4-fluorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636653
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 5209410
3-amino-5-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
CID 10633155

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile (CID 5254077) is 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccncc2)cc(-c2cccc([N+](=O)[O-])c2)nc1N.
What is the InChIKey of 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is JBGUPYIABUQPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c18-10-15-14(11-4-6-20-7-5-11)9-16(21-17(15)19)12-2-1-3-13(8-12)22(23)24/h1-9H,(H2,19,21).
What are the key properties of 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 317.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 5254077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).