N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide

C13H13N3O3S — CID 51101073

IUPACN-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C13H13N3O3S/c1-8(15-13(19)10-5-3-7-20-10)11(17)16-9-4-2-6-14-12(9)18/h2-8H,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeySUKKNJLZCARPGR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.19
Rot. Bonds4

About N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 51101073) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide
PubChem CID51101073
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C13H13N3O3S/c1-8(15-13(19)10-5-3-7-20-10)11(17)16-9-4-2-6-14-12(9)18/h2-8H,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeySUKKNJLZCARPGR-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55489098
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-[(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-6-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 143365522
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide (CID 51101073) is N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is SUKKNJLZCARPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8(15-13(19)10-5-3-7-20-10)11(17)16-9-4-2-6-14-12(9)18/h2-8H,1H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51101073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).