1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C23H19N3O2S — CID 86845826

IUPAC1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)Nc3ncc(-c4ccccc4)s3)c2=O)c1
InChIInChI=1S/C23H19N3O2S/c1-16-7-5-8-17(13-16)15-26-12-6-11-19(22(26)28)21(27)25-23-24-14-20(29-23)18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyRJWILLPFYSHBDC-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.58
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 86845826) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID86845826
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)Nc3ncc(-c4ccccc4)s3)c2=O)c1
InChIInChI=1S/C23H19N3O2S/c1-16-7-5-8-17(13-16)15-26-12-6-11-19(22(26)28)21(27)25-23-24-14-20(29-23)18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyRJWILLPFYSHBDC-UHFFFAOYSA-N
XLogP4.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methylphenyl)methyl]-N-(6-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 99609154
1-[(3-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598392
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
1-[(3-fluorophenyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7597651
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
N-(1,3-benzothiazol-2-yl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599139

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 86845826) is 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)Nc3ncc(-c4ccccc4)s3)c2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is RJWILLPFYSHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-16-7-5-8-17(13-16)15-26-12-6-11-19(22(26)28)21(27)25-23-24-14-20(29-23)18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,24,25,27).
What are the key properties of 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86845826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).