N-(4-chlorophenyl)pyridine-4-carboxamide

C12H9ClN2O — CID 571578

IUPACN-(4-chlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C12H9ClN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKeyQXVSZZRIGDEOOB-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.99
Rot. Bonds2

About N-(4-chlorophenyl)pyridine-4-carboxamide

N-(4-chlorophenyl)pyridine-4-carboxamide (PubChem CID 571578) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)pyridine-4-carboxamide
PubChem CID571578
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC NameN-(4-chlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C12H9ClN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKeyQXVSZZRIGDEOOB-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)pyridine-4-carboxamide 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 N-(4-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)pyridine-4-carboxamide (CID 571578) is N-(4-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is QXVSZZRIGDEOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16).
What are the key properties of N-(4-chlorophenyl)pyridine-4-carboxamide?
N-(4-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 232.67 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 571578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).