N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide

C29H21F3N4O5 — CID 165373132

About N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 165373132) has the molecular formula C29H21F3N4O5 and a molecular weight of 562.50 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 165373132
• Molecular Formula: C29H21F3N4O5
• Molecular Weight: 562.50 g/mol
• Exact Mass: 562.15
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(F)cn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C29H21F3N4O5/c1-15-20(32)14-36(18-7-4-16(30)5-8-18)29(38)25(15)27(37)34-17-6-9-22(19(31)12-17)41-23-10-11-33-21-13-24(39-2)28(40-3)35-26(21)23/h4-14H,1-3H3,(H,34,37)
• InChIKey: NXYKUUGUHGHPHC-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.50
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 165373132) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)c(F)cn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC.

What is the InChIKey of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is NXYKUUGUHGHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O5/c1-15-20(32)14-36(18-7-4-16(30)5-8-18)29(38)25(15)27(37)34-17-6-9-22(19(31)12-17)41-23-10-11-33-21-13-24(39-2)28(40-3)35-26(21)23/h4-14H,1-3H3,(H,34,37).

What are the key properties of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 562.50 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 165373132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).