N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C24H20FN3O4 — CID 98235517

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)N[C@H](C)c3ccc(F)cc3)c(O)c3cccnc32)cc1
InChIInChI=1S/C24H20FN3O4/c1-14(15-5-7-16(25)8-6-15)27-23(30)20-21(29)19-4-3-13-26-22(19)28(24(20)31)17-9-11-18(32-2)12-10-17/h3-14,29H,1-2H3,(H,27,30)/t14-/m1/s1
InChIKeyAFRUTQCESPUGMC-CQSZACIVSA-N
MW433.44 g/mol
LogP3.73
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 98235517) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID98235517
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)N[C@H](C)c3ccc(F)cc3)c(O)c3cccnc32)cc1
InChIInChI=1S/C24H20FN3O4/c1-14(15-5-7-16(25)8-6-15)27-23(30)20-21(29)19-4-3-13-26-22(19)28(24(20)31)17-9-11-18(32-2)12-10-17/h3-14,29H,1-2H3,(H,27,30)/t14-/m1/s1
InChIKeyAFRUTQCESPUGMC-CQSZACIVSA-N
XLogP3.73
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726905
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 54726961
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726976
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 95099108
1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726940
2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92733229
4-hydroxy-3-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676192
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 98235517) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(-n2c(=O)c(C(=O)N[C@H](C)c3ccc(F)cc3)c(O)c3cccnc32)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AFRUTQCESPUGMC-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-14(15-5-7-16(25)8-6-15)27-23(30)20-21(29)19-4-3-13-26-22(19)28(24(20)31)17-9-11-18(32-2)12-10-17/h3-14,29H,1-2H3,(H,27,30)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 98235517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).