2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid

C13H14N2O3 — CID 122055718

IUPAC2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NC2CC=CCC2)c1
InChIInChI=1S/C13H14N2O3/c16-12(15-10-4-2-1-3-5-10)11-8-9(13(17)18)6-7-14-11/h1-2,6-8,10H,3-5H2,(H,15,16)(H,17,18)
InChIKeyQMTBWLLLUFNWOJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.62
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid

2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 122055718) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID122055718
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NC2CC=CCC2)c1
InChIInChI=1S/C13H14N2O3/c16-12(15-10-4-2-1-3-5-10)11-8-9(13(17)18)6-7-14-11/h1-2,6-8,10H,3-5H2,(H,15,16)(H,17,18)
InChIKeyQMTBWLLLUFNWOJ-UHFFFAOYSA-N
XLogP1.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-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

2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
5-[[(1R)-cyclohex-3-en-1-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 99849324
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide
CID 97244956
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 129470229
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid (CID 122055718) is 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)NC2CC=CCC2)c1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is QMTBWLLLUFNWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(15-10-4-2-1-3-5-10)11-8-9(13(17)18)6-7-14-11/h1-2,6-8,10H,3-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid?
2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).