1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide

C29H21F3N4O4 — CID 165373210

About 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide

1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide (PubChem CID 165373210) has the molecular formula C29H21F3N4O4 and a molecular weight of 546.51 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide
• PubChem CID: 165373210
• Molecular Formula: C29H21F3N4O4
• Molecular Weight: 546.51 g/mol
• Exact Mass: 546.15
• IUPAC Name: 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide
• SMILES: COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(F)F)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
• InChI: InChI=1S/C29H21F3N4O4/c1-16-25(17-3-5-18(30)6-4-17)27(37)22(15-36(16)29(31)32)28(38)35-19-7-9-20(10-8-19)40-24-11-12-33-23-13-21(39-2)14-34-26(23)24/h3-15,29H,1-2H3,(H,35,38)
• InChIKey: ABUTVRVPUYYWSU-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.51
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide (CID 165373210) is 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide.

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

The canonical SMILES for 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide is COc1cnc2c(Oc3ccc(NC(=O)c4cn(C(F)F)c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1.

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

The InChIKey is ABUTVRVPUYYWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O4/c1-16-25(17-3-5-18(30)6-4-17)27(37)22(15-36(16)29(31)32)28(38)35-19-7-9-20(10-8-19)40-24-11-12-33-23-13-21(39-2)14-34-26(23)24/h3-15,29H,1-2H3,(H,35,38).

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

1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 546.51 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethyl)-5-(4-fluorophenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 165373210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).