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

C13H17ClN2O — CID 43244106

IUPAC4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C13H17ClN2O/c1-9-3-2-4-11(7-9)16-13(17)12-8-10(14)5-6-15-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyNFFSVYYCMDPAIG-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.04
Rot. Bonds2

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

4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide (PubChem CID 43244106) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
PubChem CID43244106
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C13H17ClN2O/c1-9-3-2-4-11(7-9)16-13(17)12-8-10(14)5-6-15-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyNFFSVYYCMDPAIG-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

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Related Compounds

4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide (CID 43244106) is 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide is CC1CCCC(NC(=O)c2cc(Cl)ccn2)C1.
What is the InChIKey of 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is NFFSVYYCMDPAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-2-4-11(7-9)16-13(17)12-8-10(14)5-6-15-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide?
4-chloro-N-(3-methylcyclohexyl)pyridine-2-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 4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 43244106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).