2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile

C24H15ClN4O2 — CID 4659440

IUPAC2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)cc(-c2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C24H15ClN4O2/c25-21-11-10-18(12-23(21)29(30)31)19-13-22(28-24(27)20(19)14-26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,(H2,27,28)
InChIKeyNYKUZTLGSFNIHI-UHFFFAOYSA-N
MW426.86 g/mol
LogP6.10
Rot. Bonds4

About 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile

2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile (PubChem CID 4659440) has the molecular formula C24H15ClN4O2 and a molecular weight of 426.86 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
PubChem CID4659440
Molecular FormulaC24H15ClN4O2
Molecular Weight426.86 g/mol
Exact Mass426.09
IUPAC Name2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)cc(-c2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C24H15ClN4O2/c25-21-11-10-18(12-23(21)29(30)31)19-13-22(28-24(27)20(19)14-26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,(H2,27,28)
InChIKeyNYKUZTLGSFNIHI-UHFFFAOYSA-N
XLogP6.10
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.86
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)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-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659159
2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659437
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230675

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile (CID 4659440) is 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)cc(-c2ccc(-c3ccccc3)cc2)nc1N.
What is the InChIKey of 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
The InChIKey is NYKUZTLGSFNIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O2/c25-21-11-10-18(12-23(21)29(30)31)19-13-22(28-24(27)20(19)14-26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,(H2,27,28).
What are the key properties of 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile has a molecular weight of 426.86 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4659440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).