N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide

C30H24F2N4O5S — CID 167662917

About N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide

N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide (PubChem CID 167662917) has the molecular formula C30H24F2N4O5S and a molecular weight of 590.61 g/mol. Its IUPAC name is N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide
• PubChem CID: 167662917
• Molecular Formula: C30H24F2N4O5S
• Molecular Weight: 590.61 g/mol
• Exact Mass: 590.14
• IUPAC Name: N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide
• SMILES: Cc1cc2nccc(Oc3ccc(CC(=O)c4c[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1NS(C)(=O)=O
• InChI: InChI=1S/C30H24F2N4O5S/c1-16-12-23-28(35-30(16)36-42(3,39)40)26(10-11-33-23)41-25-9-4-18(13-22(25)32)14-24(37)21-15-34-17(2)27(29(21)38)19-5-7-20(31)8-6-19/h4-13,15H,14H2,1-3H3,(H,34,38)(H,35,36)
• InChIKey: SEYUQRRIUSRIOQ-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.61
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide?

The IUPAC name of N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide (CID 167662917) is N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide.

What is the SMILES notation for N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide?

The canonical SMILES for N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide is Cc1cc2nccc(Oc3ccc(CC(=O)c4c[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1NS(C)(=O)=O.

What is the InChIKey of N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide?

The InChIKey is SEYUQRRIUSRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4O5S/c1-16-12-23-28(35-30(16)36-42(3,39)40)26(10-11-33-23)41-25-9-4-18(13-22(25)32)14-24(37)21-15-34-17(2)27(29(21)38)19-5-7-20(31)8-6-19/h4-13,15H,14H2,1-3H3,(H,34,38)(H,35,36).

What are the key properties of N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide?

N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide has a molecular weight of 590.61 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 167662917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).