2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid

C14H20N2O2 — CID 63511863

IUPAC2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1CCCCC1CNc1ncccc1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-10-5-2-3-6-11(10)9-16-13-12(14(17)18)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyMGSBEJKRJPHWTH-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid

2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 63511863) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
PubChem CID63511863
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1CCCCC1CNc1ncccc1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-10-5-2-3-6-11(10)9-16-13-12(14(17)18)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyMGSBEJKRJPHWTH-UHFFFAOYSA-N
XLogP3.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
3-methyl-N-[[(1R,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
CID 129450953
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid (CID 63511863) is 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid is CC1CCCCC1CNc1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is MGSBEJKRJPHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-2-3-6-11(10)9-16-13-12(14(17)18)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid?
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.02, 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-carboxylic acid is sourced from PubChem (CID 63511863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).