5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide

C13H13N3O3S — CID 60512469

IUPAC5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2c[nH]ccc2=O)s1
InChIInChI=1S/C13H13N3O3S/c1-8-2-3-11(20-8)13(19)15-7-12(18)16-9-6-14-5-4-10(9)17/h2-6H,7H2,1H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyZBQAGCAXQIZBNE-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.11
Rot. Bonds4

About 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 60512469) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide
PubChem CID60512469
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2c[nH]ccc2=O)s1
InChIInChI=1S/C13H13N3O3S/c1-8-2-3-11(20-8)13(19)15-7-12(18)16-9-6-14-5-4-10(9)17/h2-6H,7H2,1H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyZBQAGCAXQIZBNE-UHFFFAOYSA-N
XLogP1.11
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide 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

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29411153
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 46737876
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide (CID 60512469) is 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2c[nH]ccc2=O)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is ZBQAGCAXQIZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-2-3-11(20-8)13(19)15-7-12(18)16-9-6-14-5-4-10(9)17/h2-6H,7H2,1H3,(H,14,17)(H,15,19)(H,16,18).
What are the key properties of 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 60512469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).