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

C24H17F4N3O3 — CID 57401610

IUPAC7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C24H17F4N3O3/c25-16-7-6-15(17(10-16)24(26,27)28)12-30-22(33)19-21(32)20-18(31-23(19)34)9-14(11-29-20)8-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2,(H,30,33)(H2,31,32,34)
InChIKeyHDXMXTOTDSAUFD-UHFFFAOYSA-N
MW471.41 g/mol
LogP4.31
Rot. Bonds5

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

7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 57401610) has the molecular formula C24H17F4N3O3 and a molecular weight of 471.41 g/mol. Its IUPAC name is 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID57401610
Molecular FormulaC24H17F4N3O3
Molecular Weight471.41 g/mol
Exact Mass471.12
IUPAC Name7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C24H17F4N3O3/c25-16-7-6-15(17(10-16)24(26,27)28)12-30-22(33)19-21(32)20-18(31-23(19)34)9-14(11-29-20)8-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2,(H,30,33)(H2,31,32,34)
InChIKeyHDXMXTOTDSAUFD-UHFFFAOYSA-N
XLogP4.31
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 57401610) is 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1C(F)(F)F)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is HDXMXTOTDSAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O3/c25-16-7-6-15(17(10-16)24(26,27)28)12-30-22(33)19-21(32)20-18(31-23(19)34)9-14(11-29-20)8-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2,(H,30,33)(H2,31,32,34).
What are the key properties of 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 471.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57401610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).