4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid

C13H17NO2 — CID 83822125

IUPAC4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C13H17NO2/c15-13(16)12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h1-2,7,9-10,12H,3-6,8H2,(H,15,16)
InChIKeySGDSTEFIPSFNEF-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.52
Rot. Bonds3

About 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid

4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 83822125) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID83822125
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C13H17NO2/c15-13(16)12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h1-2,7,9-10,12H,3-6,8H2,(H,15,16)
InChIKeySGDSTEFIPSFNEF-UHFFFAOYSA-N
XLogP2.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
CID 15234849
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid (CID 83822125) is 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Cc2cccnc2)CC1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is SGDSTEFIPSFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h1-2,7,9-10,12H,3-6,8H2,(H,15,16).
What are the key properties of 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83822125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).