4-chloro-N-pentan-2-ylpyridine-2-carboxamide

C11H15ClN2O — CID 43087437

IUPAC4-chloro-N-pentan-2-ylpyridine-2-carboxamide
SMILESCCCC(C)NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O/c1-3-4-8(2)14-11(15)10-7-9(12)5-6-13-10/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyUKPZMSOMODAAGW-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-pentan-2-ylpyridine-2-carboxamide

4-chloro-N-pentan-2-ylpyridine-2-carboxamide (PubChem CID 43087437) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-N-pentan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-pentan-2-ylpyridine-2-carboxamide
PubChem CID43087437
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-N-pentan-2-ylpyridine-2-carboxamide
SMILESCCCC(C)NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O/c1-3-4-8(2)14-11(15)10-7-9(12)5-6-13-10/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyUKPZMSOMODAAGW-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-pentan-2-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

(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
CID 18115585
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamic acid
CID 68589066
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115604084

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-pentan-2-ylpyridine-2-carboxamide (CID 43087437) is 4-chloro-N-pentan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-pentan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-pentan-2-ylpyridine-2-carboxamide is CCCC(C)NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-pentan-2-ylpyridine-2-carboxamide?
The InChIKey is UKPZMSOMODAAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-4-8(2)14-11(15)10-7-9(12)5-6-13-10/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-pentan-2-ylpyridine-2-carboxamide?
4-chloro-N-pentan-2-ylpyridine-2-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 43087437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).