N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide

C13H8ClN3O — CID 63716705

IUPACN-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H8ClN3O/c14-10-2-4-11(5-3-10)17-13(18)12-6-1-9(7-15)8-16-12/h1-6,8H,(H,17,18)
InChIKeyXCNWZFHXVTUDDZ-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.86
Rot. Bonds2

About N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide

N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 63716705) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
PubChem CID63716705
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC NameN-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H8ClN3O/c14-10-2-4-11(5-3-10)17-13(18)12-6-1-9(7-15)8-16-12/h1-6,8H,(H,17,18)
InChIKeyXCNWZFHXVTUDDZ-UHFFFAOYSA-N
XLogP2.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide 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

N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
2-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339395
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid
CID 10992191

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide (CID 63716705) is N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is XCNWZFHXVTUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-10-2-4-11(5-3-10)17-13(18)12-6-1-9(7-15)8-16-12/h1-6,8H,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide?
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 257.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 63716705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).