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

C23H15F4N3O4 — CID 57401471

IUPACN-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C23H15F4N3O4/c24-16-2-1-3-17(25)14(16)10-30-11-15(21(32)20-18(30)8-9-19(31)29-20)22(33)28-12-4-6-13(7-5-12)34-23(26)27/h1-9,11,23H,10H2,(H,28,33)(H,29,31)
InChIKeyYPZRKHZFHQJVDJ-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.87
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57401471) has the molecular formula C23H15F4N3O4 and a molecular weight of 473.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57401471
Molecular FormulaC23H15F4N3O4
Molecular Weight473.38 g/mol
Exact Mass473.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O
InChIInChI=1S/C23H15F4N3O4/c24-16-2-1-3-17(25)14(16)10-30-11-15(21(32)20-18(30)8-9-19(31)29-20)22(33)28-12-4-6-13(7-5-12)34-23(26)27/h1-9,11,23H,10H2,(H,28,33)(H,29,31)
InChIKeyYPZRKHZFHQJVDJ-UHFFFAOYSA-N
XLogP3.87
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390977
N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid;hydrobromide
CID 110169212
N-(4-carbamoylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;dihydrate
CID 110172721
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide
CID 57394491
N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172640
1-[(2-fluorophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172650
1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172661
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-(1-cyanocyclohexyl)-1-[(2,6-dichlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172636
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57401471) is N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is YPZRKHZFHQJVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O4/c24-16-2-1-3-17(25)14(16)10-30-11-15(21(32)20-18(30)8-9-19(31)29-20)22(33)28-12-4-6-13(7-5-12)34-23(26)27/h1-9,11,23H,10H2,(H,28,33)(H,29,31).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 473.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).