1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide

C22H15F2N3O3 — CID 57403205

IUPAC1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C22H15F2N3O3/c23-16-7-4-8-17(24)14(16)11-27-12-15(22(30)25-13-5-2-1-3-6-13)21(29)20-18(27)9-10-19(28)26-20/h1-10,12H,11H2,(H,25,30)(H,26,28)
InChIKeyZXLBVDAFXMZACQ-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.27
Rot. Bonds4

About 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide

1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57403205) has the molecular formula C22H15F2N3O3 and a molecular weight of 407.38 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57403205
Molecular FormulaC22H15F2N3O3
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C22H15F2N3O3/c23-16-7-4-8-17(24)14(16)11-27-12-15(22(30)25-13-5-2-1-3-6-13)21(29)20-18(27)9-10-19(28)26-20/h1-10,12H,11H2,(H,25,30)(H,26,28)
InChIKeyZXLBVDAFXMZACQ-UHFFFAOYSA-N
XLogP3.27
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2491586
N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 4883815
4-(3-Fluoro-benzylamino)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
CID 6502643
4-(4-Fluoro-benzylamino)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
CID 6502646
4-(2-Fluoro-benzylamino)-2-hydroxy-quinoline-3-carbaldehyde
CID 6504189
4-Oxo-1-pentyl-6-phenyl-n3-(3(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxamide
CID 49840760
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 60145370
Nicotinamide, 1,4-dihydro-4-oxo-N,1,2,6-tetraphenyl-
CID 3042323
2,5-dioxo-N-(2-oxo-2-phenylethyl)-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 1290076
2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-N-(4-fluoro-phenyl)-acetamide
CID 1437933
1-benzyl-2-oxo-N-phenyl-1,2-dihydropyridine-3-carboxamide
CID 1478492

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide (CID 57403205) is 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide is O=C(Nc1ccccc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZXLBVDAFXMZACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O3/c23-16-7-4-8-17(24)14(16)11-27-12-15(22(30)25-13-5-2-1-3-6-13)21(29)20-18(27)9-10-19(28)26-20/h1-10,12H,11H2,(H,25,30)(H,26,28).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57403205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).