4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C17H17ClN2O — CID 81229618

IUPAC4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnccc2Cl)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)11-20(14-6-7-14)17(21)15-10-19-9-8-16(15)18/h2-5,8-10,14H,6-7,11H2,1H3
InChIKeyKWTKGZFGZOEJGW-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 81229618) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID81229618
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnccc2Cl)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)11-20(14-6-7-14)17(21)15-10-19-9-8-16(15)18/h2-5,8-10,14H,6-7,11H2,1H3
InChIKeyKWTKGZFGZOEJGW-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-cyclopropyl-N-[(4-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

3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 32590292
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
4-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 81226868
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 32590253
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 81229618) is 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CN(C(=O)c2cnccc2Cl)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KWTKGZFGZOEJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-2-4-13(5-3-12)11-20(14-6-7-14)17(21)15-10-19-9-8-16(15)18/h2-5,8-10,14H,6-7,11H2,1H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81229618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).