5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid

C16H22N2O3 — CID 61380872

IUPAC5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCC1CCC(NC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-3-11-4-7-13(8-5-11)18-15(19)12-6-9-14(16(20)21)17-10-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyUDYSOPVMBXTKCZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.87
Rot. Bonds5

About 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid

5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61380872) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID61380872
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCC1CCC(NC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-3-11-4-7-13(8-5-11)18-15(19)12-6-9-14(16(20)21)17-10-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyUDYSOPVMBXTKCZ-UHFFFAOYSA-N
XLogP2.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-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-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
5-hydrazinyl-N-(4-propylcyclohexyl)pyrazine-2-carboxamide
CID 107377854
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid (CID 61380872) is 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid is CCCC1CCC(NC(=O)c2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UDYSOPVMBXTKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-11-4-7-13(8-5-11)18-15(19)12-6-9-14(16(20)21)17-10-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).