6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane

C16H21N3O3S — CID 144986620

IUPAC6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane
SMILESC1CCOCC1.Cc1csc(NC(=O)c2cc(=O)cc(C)[nH]2)n1
InChIInChI=1S/C11H11N3O2S.C5H10O/c1-6-3-8(15)4-9(12-6)10(16)14-11-13-7(2)5-17-11;1-2-4-6-5-3-1/h3-5H,1-2H3,(H,12,15)(H,13,14,16);1-5H2
InChIKeyKPYJHRPKQYLQOC-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.89
Rot. Bonds2

About 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane

6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane (PubChem CID 144986620) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane.

Molecular Properties

Compound Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane
PubChem CID144986620
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane
SMILESC1CCOCC1.Cc1csc(NC(=O)c2cc(=O)cc(C)[nH]2)n1
InChIInChI=1S/C11H11N3O2S.C5H10O/c1-6-3-8(15)4-9(12-6)10(16)14-11-13-7(2)5-17-11;1-2-4-6-5-3-1/h3-5H,1-2H3,(H,12,15)(H,13,14,16);1-5H2
InChIKeyKPYJHRPKQYLQOC-UHFFFAOYSA-N
XLogP2.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane?
The IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane (CID 144986620) is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane.
What is the SMILES notation for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane?
The canonical SMILES for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane is C1CCOCC1.Cc1csc(NC(=O)c2cc(=O)cc(C)[nH]2)n1.
What is the InChIKey of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane?
The InChIKey is KPYJHRPKQYLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S.C5H10O/c1-6-3-8(15)4-9(12-6)10(16)14-11-13-7(2)5-17-11;1-2-4-6-5-3-1/h3-5H,1-2H3,(H,12,15)(H,13,14,16);1-5H2.
What are the key properties of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane?
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane has a molecular weight of 335.43 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane is sourced from PubChem (CID 144986620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).