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

C32H28F2N4O5 — CID 165373101

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

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 165373101) has the molecular formula C32H28F2N4O5 and a molecular weight of 586.60 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• PubChem CID: 165373101
• Molecular Formula: C32H28F2N4O5
• Molecular Weight: 586.60 g/mol
• Exact Mass: 586.20
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C32H28F2N4O5/c1-16-13-19(33)7-9-21(16)27-17(2)38(4)18(3)28(30(27)39)31(40)36-20-8-10-24(22(34)14-20)43-25-11-12-35-23-15-26(41-5)32(42-6)37-29(23)25/h7-15H,1-6H3,(H,36,40)
• InChIKey: ODLTVWXHSCSWPU-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.60
LogP ≤ 5	6.26
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-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (CID 165373101) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC.

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

The InChIKey is ODLTVWXHSCSWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O5/c1-16-13-19(33)7-9-21(16)27-17(2)38(4)18(3)28(30(27)39)31(40)36-20-8-10-24(22(34)14-20)43-25-11-12-35-23-15-26(41-5)32(42-6)37-29(23)25/h7-15H,1-6H3,(H,36,40).

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

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 586.60 g/mol, XLogP of 6.26, 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-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 165373101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).