1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C16H12N4O4S — CID 8698027

IUPAC1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H12N4O4S/c21-14-6-3-12(15(22)18-16-17-7-8-25-16)10-19(14)9-11-1-4-13(5-2-11)20(23)24/h1-8,10H,9H2,(H,17,18,22)
InChIKeyFWOHFFLBSVHDSC-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.51
Rot. Bonds5

About 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 8698027) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID8698027
Molecular FormulaC16H12N4O4S
Molecular Weight356.36 g/mol
Exact Mass356.06
IUPAC Name1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H12N4O4S/c21-14-6-3-12(15(22)18-16-17-7-8-25-16)10-19(14)9-11-1-4-13(5-2-11)20(23)24/h1-8,10H,9H2,(H,17,18,22)
InChIKeyFWOHFFLBSVHDSC-UHFFFAOYSA-N
XLogP2.51
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698366
1-[(4-nitrophenyl)methyl]-N-(1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8698035
N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382694
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697960
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63578818
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene
CID 174506576

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 8698027) is 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nccs1)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FWOHFFLBSVHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c21-14-6-3-12(15(22)18-16-17-7-8-25-16)10-19(14)9-11-1-4-13(5-2-11)20(23)24/h1-8,10H,9H2,(H,17,18,22).
What are the key properties of 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 8698027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).