2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C14H18N2O3 — CID 2932012

IUPAC2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1ccccn1
InChIInChI=1S/C14H18N2O3/c17-13(16-9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyFDGKNNDZRJOOHJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.59
Rot. Bonds4

About 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2932012) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2932012
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1ccccn1
InChIInChI=1S/C14H18N2O3/c17-13(16-9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyFDGKNNDZRJOOHJ-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-2-ylmethylcarbamoyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2932012) is 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is FDGKNNDZRJOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(16-9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2932012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).