5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C20H17ClN2O — CID 52945923

IUPAC5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN2O/c1-14-4-2-3-5-16(14)13-23-20(24)18-10-17(11-22-12-18)15-6-8-19(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)
InChIKeyMLDMXXWILKZITA-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.64
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 52945923) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID52945923
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN2O/c1-14-4-2-3-5-16(14)13-23-20(24)18-10-17(11-22-12-18)15-6-8-19(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)
InChIKeyMLDMXXWILKZITA-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-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

Boscalid
CID 213013
Fluopyram
CID 11158353
N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone
CID 10365366
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
CID 67120985
Lophocladine A
CID 11708368
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 52945923) is 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is MLDMXXWILKZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-14-4-2-3-5-16(14)13-23-20(24)18-10-17(11-22-12-18)15-6-8-19(21)9-7-15/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 52945923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).