1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide

C14H16N4O3S — CID 47506363

IUPAC1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2csc(N(C)C(C)=O)n2)c1
InChIInChI=1S/C14H16N4O3S/c1-9(19)17(3)14-16-11(8-22-14)7-18-6-10(13(21)15-2)4-5-12(18)20/h4-6,8H,7H2,1-3H3,(H,15,21)
InChIKeyCOWSJVXATLSEAA-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.70
Rot. Bonds4

About 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide

1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 47506363) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID47506363
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2csc(N(C)C(C)=O)n2)c1
InChIInChI=1S/C14H16N4O3S/c1-9(19)17(3)14-16-11(8-22-14)7-18-6-10(13(21)15-2)4-5-12(18)20/h4-6,8H,7H2,1-3H3,(H,15,21)
InChIKeyCOWSJVXATLSEAA-UHFFFAOYSA-N
XLogP0.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 47506363) is 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(Cc2csc(N(C)C(C)=O)n2)c1.
What is the InChIKey of 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is COWSJVXATLSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9(19)17(3)14-16-11(8-22-14)7-18-6-10(13(21)15-2)4-5-12(18)20/h4-6,8H,7H2,1-3H3,(H,15,21).
What are the key properties of 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47506363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).