2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

C13H12N2O4S — CID 43357351

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)Nc2sccc2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H12N2O4S/c1-6-5-7(2)14-10(16)9(6)11(17)15-12-8(13(18)19)3-4-20-12/h3-5H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRNBXQRUTZOQPPJ-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.00
Rot. Bonds3

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 43357351) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID43357351
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)Nc2sccc2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H12N2O4S/c1-6-5-7(2)14-10(16)9(6)11(17)15-12-8(13(18)19)3-4-20-12/h3-5H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRNBXQRUTZOQPPJ-UHFFFAOYSA-N
XLogP2.00
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-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

4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357463
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 114040056
N-(2,3-dimethylphenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 17444199
2-benzamidothiophene-3-carboxylic acid
CID 16639461
N-(6-chloro-3-pyridinyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 56801418
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 43467541
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357398
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 43357351) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C)c(C(=O)Nc2sccc2C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is RNBXQRUTZOQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-6-5-7(2)14-10(16)9(6)11(17)15-12-8(13(18)19)3-4-20-12/h3-5H,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).