N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide

C17H18FN3O5S — CID 54692269

IUPACN-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
SMILESCN(c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O)S(C)(=O)=O
InChIInChI=1S/C17H18FN3O5S/c1-20(27(2,25)26)15-12-7-8-21(9-10-3-5-11(18)6-4-10)17(24)13(12)14(22)16(23)19-15/h3-6,22H,7-9H2,1-2H3,(H,19,23)
InChIKeyJFETZOXRKPFEIL-UHFFFAOYSA-N
MW395.41 g/mol
LogP0.81
Rot. Bonds4

About N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide

N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide (PubChem CID 54692269) has the molecular formula C17H18FN3O5S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
PubChem CID54692269
Molecular FormulaC17H18FN3O5S
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC NameN-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
SMILESCN(c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O)S(C)(=O)=O
InChIInChI=1S/C17H18FN3O5S/c1-20(27(2,25)26)15-12-7-8-21(9-10-3-5-11(18)6-4-10)17(24)13(12)14(22)16(23)19-15/h3-6,22H,7-9H2,1-2H3,(H,19,23)
InChIKeyJFETZOXRKPFEIL-UHFFFAOYSA-N
XLogP0.81
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide (CID 54692269) is N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide is CN(c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O)S(C)(=O)=O.
What is the InChIKey of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
The InChIKey is JFETZOXRKPFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5S/c1-20(27(2,25)26)15-12-7-8-21(9-10-3-5-11(18)6-4-10)17(24)13(12)14(22)16(23)19-15/h3-6,22H,7-9H2,1-2H3,(H,19,23).
What are the key properties of N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 54692269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).