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

C27H21FN4O4S — CID 156840962

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

N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 156840962) has the molecular formula C27H21FN4O4S and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 156840962
• Molecular Formula: C27H21FN4O4S
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.13
• IUPAC Name: N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide
• SMILES: COc1cnc2c(Oc3ccc(NC(=O)c4c[nH]c(C)c(-c5ccc(C)s5)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C27H21FN4O4S/c1-14-4-7-23(37-14)24-15(2)30-13-18(26(24)33)27(34)32-16-5-6-21(19(28)10-16)36-22-8-9-29-20-11-17(35-3)12-31-25(20)22/h4-13H,1-3H3,(H,30,33)(H,32,34)
• InChIKey: DHRBBNHEYDKBMP-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	5.86
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]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 156840962) is N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-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]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide is COc1cnc2c(Oc3ccc(NC(=O)c4c[nH]c(C)c(-c5ccc(C)s5)c4=O)cc3F)ccnc2c1.

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

The InChIKey is DHRBBNHEYDKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O4S/c1-14-4-7-23(37-14)24-15(2)30-13-18(26(24)33)27(34)32-16-5-6-21(19(28)10-16)36-22-8-9-29-20-11-17(35-3)12-31-25(20)22/h4-13H,1-3H3,(H,30,33)(H,32,34).

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

N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 5.86, 6 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]-6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156840962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).