1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide

C22H19F2N3O3 — CID 50844755

IUPAC1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(=O)n2CC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C22H19F2N3O3/c1-14-5-7-15(8-6-14)12-25-22(30)19-3-2-4-21(29)27(19)13-20(28)26-18-10-9-16(23)11-17(18)24/h2-11H,12-13H2,1H3,(H,25,30)(H,26,28)
InChIKeySXZNXYAACSVKDO-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide

1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide (PubChem CID 50844755) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
PubChem CID50844755
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(=O)n2CC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C22H19F2N3O3/c1-14-5-7-15(8-6-14)12-25-22(30)19-3-2-4-21(29)27(19)13-20(28)26-18-10-9-16(23)11-17(18)24/h2-11H,12-13H2,1H3,(H,25,30)(H,26,28)
InChIKeySXZNXYAACSVKDO-UHFFFAOYSA-N
XLogP3.00
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
1-ethyl-N-[(4-fluorophenyl)methyl]-6-oxopyridine-2-carboxamide
CID 158947897
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide
CID 50844374
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
6-N-(2,4-difluorophenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097480
N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 25238701
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
4-[1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 46247817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide (CID 50844755) is 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cccc(=O)n2CC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide?
The InChIKey is SXZNXYAACSVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-14-5-7-15(8-6-14)12-25-22(30)19-3-2-4-21(29)27(19)13-20(28)26-18-10-9-16(23)11-17(18)24/h2-11H,12-13H2,1H3,(H,25,30)(H,26,28).
What are the key properties of 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide?
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 50844755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).