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

C13H18N2O2 — CID 43317156

IUPAC2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-5-10(8-9)15-12-11(13(16)17)6-3-7-14-12/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeySNORPGAFKRUYSI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds3

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

2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 43317156) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID43317156
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-5-10(8-9)15-12-11(13(16)17)6-3-7-14-12/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeySNORPGAFKRUYSI-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
5-bromo-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 63537993
5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114047011
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
1-[(3-methylcyclohexyl)amino]isoquinoline-3-carboxylic acid
CID 43370641
3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid
CID 114541203
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 43317156) is 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid is CC1CCCC(Nc2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is SNORPGAFKRUYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-2-5-10(8-9)15-12-11(13(16)17)6-3-7-14-12/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 43317156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).