7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C19H15F4N3O4 — CID 69482575

IUPAC7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C19H15F4N3O4/c20-11-2-1-10(12(7-11)19(21,22)23)5-9-6-13-15(25-8-9)16(28)14(18(30)26-13)17(29)24-3-4-27/h1-2,6-8,27H,3-5H2,(H,24,29)(H2,26,28,30)
InChIKeyYYIZDVGMIXDNCZ-UHFFFAOYSA-N
MW425.34 g/mol
LogP2.10
Rot. Bonds5

About 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide

7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 69482575) has the molecular formula C19H15F4N3O4 and a molecular weight of 425.34 g/mol. Its IUPAC name is 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID69482575
Molecular FormulaC19H15F4N3O4
Molecular Weight425.34 g/mol
Exact Mass425.10
IUPAC Name7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C19H15F4N3O4/c20-11-2-1-10(12(7-11)19(21,22)23)5-9-6-13-15(25-8-9)16(28)14(18(30)26-13)17(29)24-3-4-27/h1-2,6-8,27H,3-5H2,(H,24,29)(H2,26,28,30)
InChIKeyYYIZDVGMIXDNCZ-UHFFFAOYSA-N
XLogP2.10
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 69482575) is 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3C(F)(F)F)cc2[nH]c1=O.
What is the InChIKey of 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is YYIZDVGMIXDNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O4/c20-11-2-1-10(12(7-11)19(21,22)23)5-9-6-13-15(25-8-9)16(28)14(18(30)26-13)17(29)24-3-4-27/h1-2,6-8,27H,3-5H2,(H,24,29)(H2,26,28,30).
What are the key properties of 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 425.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).