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

C20H20FN3O4 — CID 69482566

IUPAC1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H20FN3O4/c1-2-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27)
InChIKeyDGQHYBDHVJOVFG-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.57
Rot. Bonds6

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

1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482566) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482566
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H20FN3O4/c1-2-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27)
InChIKeyDGQHYBDHVJOVFG-UHFFFAOYSA-N
XLogP1.57
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480387
1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480931
1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480963
1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 143407913
ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid
CID 54679095
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
CID 69482559
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-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide
CID 69482034
2-[[1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carbonyl]amino]ethylphosphonic acid
CID 69178142
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69481067
1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480182
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482192

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482566) is 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is DGQHYBDHVJOVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-2-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27).
What are the key properties of 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).