1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide

C21H18FN3O4 — CID 8671512

IUPAC1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2=O)c1
InChIInChI=1S/C21H18FN3O4/c1-13-3-4-14(2)16(9-13)12-24-11-15(5-8-20(24)26)21(27)23-17-6-7-18(22)19(10-17)25(28)29/h3-11H,12H2,1-2H3,(H,23,27)
InChIKeyDSKNWWNGXGAGJE-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.81
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide

1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide (PubChem CID 8671512) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide
PubChem CID8671512
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2=O)c1
InChIInChI=1S/C21H18FN3O4/c1-13-3-4-14(2)16(9-13)12-24-11-15(5-8-20(24)26)21(27)23-17-6-7-18(22)19(10-17)25(28)29/h3-11H,12H2,1-2H3,(H,23,27)
InChIKeyDSKNWWNGXGAGJE-UHFFFAOYSA-N
XLogP3.81
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671496
N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671462
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671499
1-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671473
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
N-(3,4-difluorophenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698182

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide (CID 8671512) is 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide is Cc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is DSKNWWNGXGAGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-13-3-4-14(2)16(9-13)12-24-11-15(5-8-20(24)26)21(27)23-17-6-7-18(22)19(10-17)25(28)29/h3-11H,12H2,1-2H3,(H,23,27).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide?
1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8671512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).