4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C19H11F8N3O2 — CID 175802382

IUPAC4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2ncccc2c1=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H11F8N3O2/c1-8(18(23,24)19(25,26)27)29-17(32)11-7-30(14-12(21)5-9(20)6-13(14)22)16-10(15(11)31)3-2-4-28-16/h2-8H,1H3,(H,29,32)
InChIKeyDGGIPVKIMBXOIA-UHFFFAOYSA-N
MW465.30 g/mol
LogP4.12
Rot. Bonds4

About 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 175802382) has the molecular formula C19H11F8N3O2 and a molecular weight of 465.30 g/mol. Its IUPAC name is 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID175802382
Molecular FormulaC19H11F8N3O2
Molecular Weight465.30 g/mol
Exact Mass465.07
IUPAC Name4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2ncccc2c1=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H11F8N3O2/c1-8(18(23,24)19(25,26)27)29-17(32)11-7-30(14-12(21)5-9(20)6-13(14)22)16-10(15(11)31)3-2-4-28-16/h2-8H,1H3,(H,29,32)
InChIKeyDGGIPVKIMBXOIA-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134348717
7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 155051436
1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 70011978
6-bromo-7-(3-hydroxypyrrolidin-1-yl)-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360140
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 139431794
7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 135354944
1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 139367758
1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 12991318
4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 135354747
1-(3,5-difluoro-2-pyridinyl)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 139367766
7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 145203063
6-bromo-7-[(3R,4R)-3-hydroxy-4-iodopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360065

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 175802382) is 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2ncccc2c1=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is DGGIPVKIMBXOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F8N3O2/c1-8(18(23,24)19(25,26)27)29-17(32)11-7-30(14-12(21)5-9(20)6-13(14)22)16-10(15(11)31)3-2-4-28-16/h2-8H,1H3,(H,29,32).
What are the key properties of 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 465.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175802382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).