6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid

C12H12N2O3 — CID 64767181

IUPAC6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)C2CC=CC2)n1
InChIInChI=1S/C12H12N2O3/c15-11(8-4-1-2-5-8)14-10-7-3-6-9(13-10)12(16)17/h1-3,6-8H,4-5H2,(H,16,17)(H,13,14,15)
InChIKeyOFKBITIUPDHANF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.68
Rot. Bonds3

About 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid

6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid (PubChem CID 64767181) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
PubChem CID64767181
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)C2CC=CC2)n1
InChIInChI=1S/C12H12N2O3/c15-11(8-4-1-2-5-8)14-10-7-3-6-9(13-10)12(16)17/h1-3,6-8H,4-5H2,(H,16,17)(H,13,14,15)
InChIKeyOFKBITIUPDHANF-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158
6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175489
N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid
CID 63642903
6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 63642570
CID 175714264
CID 175714264
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid (CID 64767181) is 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)C2CC=CC2)n1.
What is the InChIKey of 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid?
The InChIKey is OFKBITIUPDHANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11(8-4-1-2-5-8)14-10-7-3-6-9(13-10)12(16)17/h1-3,6-8H,4-5H2,(H,16,17)(H,13,14,15).
What are the key properties of 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid?
6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 64767181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).