5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid

C13H12N2O4S — CID 43474600

IUPAC5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCn1ccccc1=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H12N2O4S/c16-10(6-8-15-7-2-1-3-12(15)17)14-11-5-4-9(20-11)13(18)19/h1-5,7H,6,8H2,(H,14,16)(H,18,19)
InChIKeyURXZAPWUQMAOHY-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.64
Rot. Bonds5

About 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid

5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid (PubChem CID 43474600) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid
PubChem CID43474600
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCn1ccccc1=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H12N2O4S/c16-10(6-8-15-7-2-1-3-12(15)17)14-11-5-4-9(20-11)13(18)19/h1-5,7H,6,8H2,(H,14,16)(H,18,19)
InChIKeyURXZAPWUQMAOHY-UHFFFAOYSA-N
XLogP1.64
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-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-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
CID 87006402
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979400
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 65266103
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438
N-(4-methyl-1-phenylpyrazol-5-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 100642790
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid (CID 43474600) is 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid is O=C(CCn1ccccc1=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid?
The InChIKey is URXZAPWUQMAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-10(6-8-15-7-2-1-3-12(15)17)14-11-5-4-9(20-11)13(18)19/h1-5,7H,6,8H2,(H,14,16)(H,18,19).
What are the key properties of 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid?
5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).