1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide

C21H21FN4O6S — CID 54720876

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc21
InChIInChI=1S/C21H21FN4O6S/c1-25(2)16(27)11-26-14-5-4-8-23-18(14)19(28)17(21(26)30)20(29)24-10-12-6-7-13(22)9-15(12)33(3,31)32/h4-9,28H,10-11H2,1-3H3,(H,24,29)
InChIKeyZZZJLNOKZJSQFH-UHFFFAOYSA-N
MW476.49 g/mol
LogP0.66
Rot. Bonds6

About 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54720876) has the molecular formula C21H21FN4O6S and a molecular weight of 476.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54720876
Molecular FormulaC21H21FN4O6S
Molecular Weight476.49 g/mol
Exact Mass476.12
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc21
InChIInChI=1S/C21H21FN4O6S/c1-25(2)16(27)11-26-14-5-4-8-23-18(14)19(28)17(21(26)30)20(29)24-10-12-6-7-13(22)9-15(12)33(3,31)32/h4-9,28H,10-11H2,1-3H3,(H,24,29)
InChIKeyZZZJLNOKZJSQFH-UHFFFAOYSA-N
XLogP0.66
TPSA138.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[3-[(4-fluoro-2-methylsulfanylphenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1,5-naphthyridin-1-yl]acetate
CID 58978000
[3-[(4-fluoro-2-methylsulfanylphenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1,5-naphthyridin-1-yl] propanoate
CID 91522789
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-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482277
5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 139987344
N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide
CID 54748220
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
9-ethyl-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-hydroxy-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 143464558
sodium (Z)-18-[5-(1,1-dioxothiazinan-2-yl)-7-[(4-fluoro-2-methylsulfonylphenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl]octadec-9-enoate
CID 142661231
N-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882911
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
3-carboxy-1-[2-(dimethylamino)-2-oxoethyl]-1-[(4-fluoro-2-methylsulfonylphenyl)methyl]-2-oxo-1,5-naphthyridin-1-ium-4-olate
CID 87801652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54720876) is 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc21.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZZZJLNOKZJSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O6S/c1-25(2)16(27)11-26-14-5-4-8-23-18(14)19(28)17(21(26)30)20(29)24-10-12-6-7-13(22)9-15(12)33(3,31)32/h4-9,28H,10-11H2,1-3H3,(H,24,29).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54720876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).