2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide

C14H19ClN2O — CID 54983144

IUPAC2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCCC1CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-3-5-12(10)9-17-14(18)11-6-7-16-13(15)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,17,18)
InChIKeyJFFQTAMSGWCGPI-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide

2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 54983144) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID54983144
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCCC1CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-3-5-12(10)9-17-14(18)11-6-7-16-13(15)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,17,18)
InChIKeyJFFQTAMSGWCGPI-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.29
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-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 81227209
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide (CID 54983144) is 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide is CC1CCCCC1CNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is JFFQTAMSGWCGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-2-3-5-12(10)9-17-14(18)11-6-7-16-13(15)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 54983144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).