N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

C18H14ClN3O — CID 71841638

IUPACN-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C18H14ClN3O/c19-16-6-3-13(4-7-16)10-22-18(23)15-5-8-17(21-12-15)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,22,23)
InChIKeyVNROUQYGCNFSRF-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.73
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 71841638) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
PubChem CID71841638
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC NameN-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C18H14ClN3O/c19-16-6-3-13(4-7-16)10-22-18(23)15-5-8-17(21-12-15)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,22,23)
InChIKeyVNROUQYGCNFSRF-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-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-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71841602
N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4188027
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157940
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide (CID 71841638) is N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is VNROUQYGCNFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-16-6-3-13(4-7-16)10-22-18(23)15-5-8-17(21-12-15)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 71841638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).