6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide

C15H12N4O2S — CID 70482718

IUPAC6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(N)=O)cc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C15H12N4O2S/c1-8-10(6-11(13(16)20)14(21)18-8)12-7-22-15(19-12)9-2-4-17-5-3-9/h2-7H,1H3,(H2,16,20)(H,18,21)
InChIKeyVKNPUXXBQNIESV-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.97
Rot. Bonds3

About 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide

6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 70482718) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide
PubChem CID70482718
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(N)=O)cc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C15H12N4O2S/c1-8-10(6-11(13(16)20)14(21)18-8)12-7-22-15(19-12)9-2-4-17-5-3-9/h2-7H,1H3,(H2,16,20)(H,18,21)
InChIKeyVKNPUXXBQNIESV-UHFFFAOYSA-N
XLogP1.97
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2824333
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CID 10126343
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CID 10171950
CID 10171950
CID 10193998
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CID 10215918
CID 10215918
CID 10236551
CID 10236551
CID 10308461
CID 10308461
CID 10308615
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CID 10221761
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CID 10883539
CID 10883539

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide (CID 70482718) is 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(N)=O)cc1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is VKNPUXXBQNIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-8-10(6-11(13(16)20)14(21)18-8)12-7-22-15(19-12)9-2-4-17-5-3-9/h2-7H,1H3,(H2,16,20)(H,18,21).
What are the key properties of 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70482718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).