1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid

C12H10N2O4S — CID 82099867

IUPAC1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESNC(=O)Cn1c(-c2cccs2)ccc(C(=O)O)c1=O
InChIInChI=1S/C12H10N2O4S/c13-10(15)6-14-8(9-2-1-5-19-9)4-3-7(11(14)16)12(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)
InChIKeyUJCCNIIWQGWNEO-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.76
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid

1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 82099867) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID82099867
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESNC(=O)Cn1c(-c2cccs2)ccc(C(=O)O)c1=O
InChIInChI=1S/C12H10N2O4S/c13-10(15)6-14-8(9-2-1-5-19-9)4-3-7(11(14)16)12(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)
InChIKeyUJCCNIIWQGWNEO-UHFFFAOYSA-N
XLogP0.76
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-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

1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516554
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
2-(2-oxo-4-thiophen-2-yl-1,3-thiazol-3-yl)acetic acid
CID 16768259
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
3-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)-2-methylpropanethioamide
CID 82147595
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one
CID 82516835
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516663
2-[5-(carboxymethyl)-3,6-dioxo-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-2-yl]acetic acid
CID 132564005
5-iodo-2-thiophen-2-ylbenzoic acid
CID 10087991

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid (CID 82099867) is 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid is NC(=O)Cn1c(-c2cccs2)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is UJCCNIIWQGWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c13-10(15)6-14-8(9-2-1-5-19-9)4-3-7(11(14)16)12(17)18/h1-5H,6H2,(H2,13,15)(H,17,18).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82099867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).