2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide

C15H21ClN2O — CID 113378333

IUPAC2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CCCCC2)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O/c1-11-9-13(10-14(16)18-11)15(19)17-8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,17,19)
InChIKeyAANIDBVFPPUEEP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.74
Rot. Bonds4

About 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide (PubChem CID 113378333) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
PubChem CID113378333
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CCCCC2)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O/c1-11-9-13(10-14(16)18-11)15(19)17-8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,17,19)
InChIKeyAANIDBVFPPUEEP-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-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

2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 118785980
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide (CID 113378333) is 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCCC2CCCCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide?
The InChIKey is AANIDBVFPPUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-9-13(10-14(16)18-11)15(19)17-8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113378333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).