1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide

C12H13N3O2S — CID 86836265

IUPAC1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ncc(CNC(=O)c2ccn(C)c(=O)c2)s1
InChIInChI=1S/C12H13N3O2S/c1-8-13-6-10(18-8)7-14-12(17)9-3-4-15(2)11(16)5-9/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyFWOFCMUIJNVYJV-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.08
Rot. Bonds3

About 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide

1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide (PubChem CID 86836265) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide
PubChem CID86836265
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ncc(CNC(=O)c2ccn(C)c(=O)c2)s1
InChIInChI=1S/C12H13N3O2S/c1-8-13-6-10(18-8)7-14-12(17)9-3-4-15(2)11(16)5-9/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyFWOFCMUIJNVYJV-UHFFFAOYSA-N
XLogP1.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide (CID 86836265) is 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide is Cc1ncc(CNC(=O)c2ccn(C)c(=O)c2)s1.
What is the InChIKey of 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide?
The InChIKey is FWOFCMUIJNVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-13-6-10(18-8)7-14-12(17)9-3-4-15(2)11(16)5-9/h3-6H,7H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 86836265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).