N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C30H24F2N4O5 — CID 165373136

About N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 165373136) has the molecular formula C30H24F2N4O5 and a molecular weight of 558.54 g/mol. Its IUPAC name is N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 165373136
• Molecular Formula: C30H24F2N4O5
• Molecular Weight: 558.54 g/mol
• Exact Mass: 558.17
• IUPAC Name: N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
• SMILES: COc1cnc2c(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)cc5OC)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C30H24F2N4O5/c1-15-26(20-7-5-17(31)11-25(20)40-4)29(37)27(16(2)35-15)30(38)36-18-6-8-23(21(32)12-18)41-24-9-10-33-22-13-19(39-3)14-34-28(22)24/h5-14H,1-4H3,(H,35,37)(H,36,38)
• InChIKey: ITPXTPNTGBLKLO-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 115.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.54
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 165373136) is N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is COc1cnc2c(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)cc5OC)c4=O)cc3F)ccnc2c1.

What is the InChIKey of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?

The InChIKey is ITPXTPNTGBLKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4O5/c1-15-26(20-7-5-17(31)11-25(20)40-4)29(37)27(16(2)35-15)30(38)36-18-6-8-23(21(32)12-18)41-24-9-10-33-22-13-19(39-3)14-34-28(22)24/h5-14H,1-4H3,(H,35,37)(H,36,38).

What are the key properties of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?

N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 558.54 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 165373136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).