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

C17H14ClN3O2S — CID 7598102

IUPAC1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1
InChIInChI=1S/C17H14ClN3O2S/c1-11-10-24-17(19-11)20-15(22)14-3-2-8-21(16(14)23)9-12-4-6-13(18)7-5-12/h2-8,10H,9H2,1H3,(H,19,20,22)
InChIKeyRWBLDROYMGLMTM-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.57
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7598102) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7598102
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1
InChIInChI=1S/C17H14ClN3O2S/c1-11-10-24-17(19-11)20-15(22)14-3-2-8-21(16(14)23)9-12-4-6-13(18)7-5-12/h2-8,10H,9H2,1H3,(H,19,20,22)
InChIKeyRWBLDROYMGLMTM-UHFFFAOYSA-N
XLogP3.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide (CID 7598102) is 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide is Cc1csc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is RWBLDROYMGLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-10-24-17(19-11)20-15(22)14-3-2-8-21(16(14)23)9-12-4-6-13(18)7-5-12/h2-8,10H,9H2,1H3,(H,19,20,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).