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

C22H14F3N3O3 — CID 57394490

IUPAC1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C22H14F3N3O3/c23-12-4-6-13(7-5-12)26-22(31)15-11-28(10-14-16(24)2-1-3-17(14)25)18-8-9-19(29)27-20(18)21(15)30/h1-9,11H,10H2,(H,26,31)(H,27,29)
InChIKeyOOFWFQVVSBEFPM-UHFFFAOYSA-N
MW425.37 g/mol
LogP3.41
Rot. Bonds4

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

1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57394490) has the molecular formula C22H14F3N3O3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57394490
Molecular FormulaC22H14F3N3O3
Molecular Weight425.37 g/mol
Exact Mass425.10
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C22H14F3N3O3/c23-12-4-6-13(7-5-12)26-22(31)15-11-28(10-14-16(24)2-1-3-17(14)25)18-8-9-19(29)27-20(18)21(15)30/h1-9,11H,10H2,(H,26,31)(H,27,29)
InChIKeyOOFWFQVVSBEFPM-UHFFFAOYSA-N
XLogP3.41
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57394490) is 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is OOFWFQVVSBEFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O3/c23-12-4-6-13(7-5-12)26-22(31)15-11-28(10-14-16(24)2-1-3-17(14)25)18-8-9-19(29)27-20(18)21(15)30/h1-9,11H,10H2,(H,26,31)(H,27,29).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 425.37 g/mol, XLogP of 3.41, 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]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57394490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).