5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid

C13H14N2O3 — CID 81099202

IUPAC5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC=CC2)cn1
InChIInChI=1S/C13H14N2O3/c16-12(10-3-1-2-4-10)15-8-9-5-6-11(13(17)18)14-7-9/h1-2,5-7,10H,3-4,8H2,(H,15,16)(H,17,18)
InChIKeyWITKLKOJYHUGAX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.36
Rot. Bonds4

About 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid

5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81099202) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81099202
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC=CC2)cn1
InChIInChI=1S/C13H14N2O3/c16-12(10-3-1-2-4-10)15-8-9-5-6-11(13(17)18)14-7-9/h1-2,5-7,10H,3-4,8H2,(H,15,16)(H,17,18)
InChIKeyWITKLKOJYHUGAX-UHFFFAOYSA-N
XLogP1.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(cyclopent-3-ene-1-carbonylamino)methyl]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

5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099828
5-[(1,4-dioxane-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81098748
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100617
2-[(cyclopent-3-ene-1-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380657
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023
5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid (CID 81099202) is 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C2CC=CC2)cn1.
What is the InChIKey of 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is WITKLKOJYHUGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(10-3-1-2-4-10)15-8-9-5-6-11(13(17)18)14-7-9/h1-2,5-7,10H,3-4,8H2,(H,15,16)(H,17,18).
What are the key properties of 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid?
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).