2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid

C13H12N2O4 — CID 63652519

IUPAC2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
SMILESO=C(CCc1ccco1)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H12N2O4/c16-11(6-5-9-3-2-8-19-9)15-12-10(13(17)18)4-1-7-14-12/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
InChIKeyOBXXWLQENXFGBH-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.94
Rot. Bonds5

About 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid

2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid (PubChem CID 63652519) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
PubChem CID63652519
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
SMILESO=C(CCc1ccco1)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H12N2O4/c16-11(6-5-9-3-2-8-19-9)15-12-10(13(17)18)4-1-7-14-12/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
InChIKeyOBXXWLQENXFGBH-UHFFFAOYSA-N
XLogP1.94
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(furan-2-yl)propanoylamino]pyridine-3-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-[3-(furan-2-yl)propanoylamino]-3-methylbenzoic acid
CID 28778668
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
CID 104826392
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
3,5-dichloro-4-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 82811030
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
CID 107338969
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
3-[3-(furan-2-yl)propanoylamino]-4-hydroxybenzoic acid
CID 107264676
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
CID 42244968
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954281

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid (CID 63652519) is 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid is O=C(CCc1ccco1)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid?
The InChIKey is OBXXWLQENXFGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11(6-5-9-3-2-8-19-9)15-12-10(13(17)18)4-1-7-14-12/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid?
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63652519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).