N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide

C27H20FN5O6 — CID 156841203

About N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 156841203) has the molecular formula C27H20FN5O6 and a molecular weight of 529.48 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide
• PubChem CID: 156841203
• Molecular Formula: C27H20FN5O6
• Molecular Weight: 529.48 g/mol
• Exact Mass: 529.14
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5cc[nH]c(=O)c5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C27H20FN5O6/c1-37-22-14-19-24(32-26(22)38-2)21(8-10-29-19)39-20-6-5-15(12-18(20)28)31-25(35)17-4-3-11-33(27(17)36)16-7-9-30-23(34)13-16/h3-14H,1-2H3,(H,30,34)(H,31,35)
• InChIKey: PLYDGFZRLONKPP-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 137.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.48
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide (CID 156841203) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5cc[nH]c(=O)c5)c4=O)cc3F)c2nc1OC.

What is the InChIKey of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide?

The InChIKey is PLYDGFZRLONKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O6/c1-37-22-14-19-24(32-26(22)38-2)21(8-10-29-19)39-20-6-5-15(12-18(20)28)31-25(35)17-4-3-11-33(27(17)36)16-7-9-30-23(34)13-16/h3-14H,1-2H3,(H,30,34)(H,31,35).

What are the key properties of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide?

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 529.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 156841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).