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

C20H20FN3O4 — CID 69481523

IUPACN-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C20H20FN3O4/c1-2-28-8-7-22-19(26)16-18(25)17-15(24-20(16)27)10-13(11-23-17)9-12-3-5-14(21)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,22,26)(H2,24,25,27)
InChIKeyJGLXZAUYBWNGQB-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.12
Rot. Bonds7

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

N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 69481523) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID69481523
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C20H20FN3O4/c1-2-28-8-7-22-19(26)16-18(25)17-15(24-20(16)27)10-13(11-23-17)9-12-3-5-14(21)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,22,26)(H2,24,25,27)
InChIKeyJGLXZAUYBWNGQB-UHFFFAOYSA-N
XLogP2.12
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 69481523) is N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is CCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is JGLXZAUYBWNGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-2-28-8-7-22-19(26)16-18(25)17-15(24-20(16)27)10-13(11-23-17)9-12-3-5-14(21)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,22,26)(H2,24,25,27).
What are the key properties of N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).