7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide

C21H18F4N4O4 — CID 69482039

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C21H18F4N4O4/c1-26-19(32)16-18(31)17-14(29(20(16)33)9-15(30)28-10-21(23,24)25)7-12(8-27-17)6-11-2-4-13(22)5-3-11/h2-5,7-8,31H,6,9-10H2,1H3,(H,26,32)(H,28,30)
InChIKeyYYINLCTZBWOWMX-UHFFFAOYSA-N
MW466.39 g/mol
LogP1.87
Rot. Bonds6

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482039) has the molecular formula C21H18F4N4O4 and a molecular weight of 466.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID69482039
Molecular FormulaC21H18F4N4O4
Molecular Weight466.39 g/mol
Exact Mass466.13
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C21H18F4N4O4/c1-26-19(32)16-18(31)17-14(29(20(16)33)9-15(30)28-10-21(23,24)25)7-12(8-27-17)6-11-2-4-13(22)5-3-11/h2-5,7-8,31H,6,9-10H2,1H3,(H,26,32)(H,28,30)
InChIKeyYYINLCTZBWOWMX-UHFFFAOYSA-N
XLogP1.87
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482039) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide is CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is YYINLCTZBWOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O4/c1-26-19(32)16-18(31)17-14(29(20(16)33)9-15(30)28-10-21(23,24)25)7-12(8-27-17)6-11-2-4-13(22)5-3-11/h2-5,7-8,31H,6,9-10H2,1H3,(H,26,32)(H,28,30).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 466.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).