N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C23H18FN3O3 — CID 54727091

IUPACN-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2c(O)c3cccnc3n(-c3cccc(F)c3)c2=O)c1
InChIInChI=1S/C23H18FN3O3/c1-2-14-6-3-8-16(12-14)26-22(29)19-20(28)18-10-5-11-25-21(18)27(23(19)30)17-9-4-7-15(24)13-17/h3-13,28H,2H2,1H3,(H,26,29)
InChIKeyOSBCIXUGOIEUFW-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.05
Rot. Bonds4

About N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727091) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727091
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2c(O)c3cccnc3n(-c3cccc(F)c3)c2=O)c1
InChIInChI=1S/C23H18FN3O3/c1-2-14-6-3-8-16(12-14)26-22(29)19-20(28)18-10-5-11-25-21(18)27(23(19)30)17-9-4-7-15(24)13-17/h3-13,28H,2H2,1H3,(H,26,29)
InChIKeyOSBCIXUGOIEUFW-UHFFFAOYSA-N
XLogP4.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727091) is N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is CCc1cccc(NC(=O)c2c(O)c3cccnc3n(-c3cccc(F)c3)c2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OSBCIXUGOIEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-2-14-6-3-8-16(12-14)26-22(29)19-20(28)18-10-5-11-25-21(18)27(23(19)30)17-9-4-7-15(24)13-17/h3-13,28H,2H2,1H3,(H,26,29).
What are the key properties of N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).