N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C17H18ClN3O — CID 109203910

IUPACN-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C17H18ClN3O/c1-12-14(18)5-4-6-15(12)20-17(22)16-11-13(7-8-19-16)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyKEMKEJQSYSWSAD-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.90
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203910) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203910
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C17H18ClN3O/c1-12-14(18)5-4-6-15(12)20-17(22)16-11-13(7-8-19-16)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyKEMKEJQSYSWSAD-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-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

4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203910) is N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is KEMKEJQSYSWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-14(18)5-4-6-15(12)20-17(22)16-11-13(7-8-19-16)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).