N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide

C13H17ClN2O — CID 174596243

IUPACN-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCC(Cl)C1NC(=O)c1cccnc1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-6-11(14)12(9)16-13(17)10-5-3-7-15-8-10/h3,5,7-9,11-12H,2,4,6H2,1H3,(H,16,17)
InChIKeyVXTITQIQFCDZKK-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.61
Rot. Bonds2

About N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide

N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 174596243) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID174596243
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCC(Cl)C1NC(=O)c1cccnc1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-6-11(14)12(9)16-13(17)10-5-3-7-15-8-10/h3,5,7-9,11-12H,2,4,6H2,1H3,(H,16,17)
InChIKeyVXTITQIQFCDZKK-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylcyclohexyl)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

N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 124595352
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 11941095

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide (CID 174596243) is N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide is CC1CCCC(Cl)C1NC(=O)c1cccnc1.
What is the InChIKey of N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is VXTITQIQFCDZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-2-6-11(14)12(9)16-13(17)10-5-3-7-15-8-10/h3,5,7-9,11-12H,2,4,6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide?
N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 174596243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).