2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide

C14H21N3O — CID 55009920

IUPAC2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
SMILESCC1CCCCC1CNc1ncccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-10-5-2-3-6-11(10)9-17-14-12(13(15)18)7-4-8-16-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLDSXWVBKLVAVOW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds4

About 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide

2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide (PubChem CID 55009920) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
PubChem CID55009920
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
SMILESCC1CCCCC1CNc1ncccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-10-5-2-3-6-11(10)9-17-14-12(13(15)18)7-4-8-16-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLDSXWVBKLVAVOW-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
CID 112578623
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
3-methyl-N-[[(1R,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
CID 129450953
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
2-amino-N-[(2-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 62147960

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide (CID 55009920) is 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide is CC1CCCCC1CNc1ncccc1C(N)=O.
What is the InChIKey of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide?
The InChIKey is LDSXWVBKLVAVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-2-3-6-11(10)9-17-14-12(13(15)18)7-4-8-16-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide?
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 55009920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).