1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide

C11H11N3O2S — CID 75461584

IUPAC1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2nccs2)cc1=O
InChIInChI=1S/C11H11N3O2S/c1-14-4-2-8(6-10(14)15)11(16)13-7-9-12-3-5-17-9/h2-6H,7H2,1H3,(H,13,16)
InChIKeyCBCABORIOJMYAG-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.77
Rot. Bonds3

About 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide

1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 75461584) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
PubChem CID75461584
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2nccs2)cc1=O
InChIInChI=1S/C11H11N3O2S/c1-14-4-2-8(6-10(14)15)11(16)13-7-9-12-3-5-17-9/h2-6H,7H2,1H3,(H,13,16)
InChIKeyCBCABORIOJMYAG-UHFFFAOYSA-N
XLogP0.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide (CID 75461584) is 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2nccs2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CBCABORIOJMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14-4-2-8(6-10(14)15)11(16)13-7-9-12-3-5-17-9/h2-6H,7H2,1H3,(H,13,16).
What are the key properties of 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 75461584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).