N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C12H12N4O3S — CID 16881499

IUPACN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C12H12N4O3S/c1-13-9(17)5-7-6-20-12(15-7)16-11(19)8-3-2-4-14-10(8)18/h2-4,6H,5H2,1H3,(H,13,17)(H,14,18)(H,15,16,19)
InChIKeyNXVIECLKAYGYEN-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.37
Rot. Bonds4

About N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881499) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID16881499
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C12H12N4O3S/c1-13-9(17)5-7-6-20-12(15-7)16-11(19)8-3-2-4-14-10(8)18/h2-4,6H,5H2,1H3,(H,13,17)(H,14,18)(H,15,16,19)
InChIKeyNXVIECLKAYGYEN-UHFFFAOYSA-N
XLogP0.37
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 16881499) is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NXVIECLKAYGYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-13-9(17)5-7-6-20-12(15-7)16-11(19)8-3-2-4-14-10(8)18/h2-4,6H,5H2,1H3,(H,13,17)(H,14,18)(H,15,16,19).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).