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

C21H22FN3O5 — CID 69480387

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C21H22FN3O5/c1-30-9-7-25-16-11-14(10-13-2-4-15(22)5-3-13)12-24-18(16)19(27)17(21(25)29)20(28)23-6-8-26/h2-5,11-12,26-27H,6-10H2,1H3,(H,23,28)
InChIKeyBMOITGXBWJIYCZ-UHFFFAOYSA-N
MW415.42 g/mol
LogP1.20
Rot. Bonds8

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480387) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69480387
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C21H22FN3O5/c1-30-9-7-25-16-11-14(10-13-2-4-15(22)5-3-13)12-24-18(16)19(27)17(21(25)29)20(28)23-6-8-26/h2-5,11-12,26-27H,6-10H2,1H3,(H,23,28)
InChIKeyBMOITGXBWJIYCZ-UHFFFAOYSA-N
XLogP1.20
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-(3-methoxypropyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69483077
1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482566
1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480931
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
1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480963
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482646
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
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid
CID 90387890
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide
CID 69482548
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide
CID 69482034
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
CID 69482559

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480387) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is COCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is BMOITGXBWJIYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-30-9-7-25-16-11-14(10-13-2-4-15(22)5-3-13)12-24-18(16)19(27)17(21(25)29)20(28)23-6-8-26/h2-5,11-12,26-27H,6-10H2,1H3,(H,23,28).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).