7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C26H24FN3O5 — CID 54679117

IUPAC7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C26H24FN3O5/c1-30-20-11-17(13-28-23(20)24(31)22(26(30)33)25(32)29-15-34-2)10-18-8-9-19(27)12-21(18)35-14-16-6-4-3-5-7-16/h3-9,11-13,31H,10,14-15H2,1-2H3,(H,29,32)
InChIKeyWINASMQBUVTWLQ-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.28
Rot. Bonds8

About 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679117) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679117
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC Name7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C26H24FN3O5/c1-30-20-11-17(13-28-23(20)24(31)22(26(30)33)25(32)29-15-34-2)10-18-8-9-19(27)12-21(18)35-14-16-6-4-3-5-7-16/h3-9,11-13,31H,10,14-15H2,1-2H3,(H,29,32)
InChIKeyWINASMQBUVTWLQ-UHFFFAOYSA-N
XLogP3.28
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-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

Related Compounds

7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54679128
7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54679164
ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane
CID 159231597
7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
CID 140528333
7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
CID 59799184
N-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882911
7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
CID 59799198
ethyl 7-[[4-fluoro-2-(2-trimethylsilylethoxymethoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 58882945
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-(3-methoxypropyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69483077
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480387
benzyl N-[2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-methylpropylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]-N-methylcarbamate
CID 91088638
7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
CID 69481064

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679117) is 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is WINASMQBUVTWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-30-20-11-17(13-28-23(20)24(31)22(26(30)33)25(32)29-15-34-2)10-18-8-9-19(27)12-21(18)35-14-16-6-4-3-5-7-16/h3-9,11-13,31H,10,14-15H2,1-2H3,(H,29,32).
What are the key properties of 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-2-phenylmethoxyphenyl)methyl]-4-hydroxy-N-(methoxymethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).