2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide

C13H17ClN2O — CID 21487786

IUPAC2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C13H17ClN2O/c1-9-4-6-10(7-5-9)16-13(17)11-3-2-8-15-12(11)14/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyHRQFOSMKXHAUNG-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide

2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 21487786) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID21487786
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C13H17ClN2O/c1-9-4-6-10(7-5-9)16-13(17)11-3-2-8-15-12(11)14/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyHRQFOSMKXHAUNG-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
N-(4-methylcyclohexyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 142991804
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide (CID 21487786) is 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide is CC1CCC(NC(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is HRQFOSMKXHAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-6-10(7-5-9)16-13(17)11-3-2-8-15-12(11)14/h2-3,8-10H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 21487786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).