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

C28H23FN4O6 — CID 156841076

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

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 156841076) has the molecular formula C28H23FN4O6 and a molecular weight of 530.51 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 156841076
• Molecular Formula: C28H23FN4O6
• Molecular Weight: 530.51 g/mol
• Exact Mass: 530.16
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]cc(-c5ccc(C)o5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C28H23FN4O6/c1-14-5-7-20(38-14)17-13-31-15(2)24(26(17)34)27(35)32-16-6-8-21(18(29)11-16)39-22-9-10-30-19-12-23(36-3)28(37-4)33-25(19)22/h5-13H,1-4H3,(H,31,34)(H,32,35)
• InChIKey: KPFRLPAHESBVNX-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 128.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.51
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
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]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 156841076) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]cc(-c5ccc(C)o5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is KPFRLPAHESBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O6/c1-14-5-7-20(38-14)17-13-31-15(2)24(26(17)34)27(35)32-16-6-8-21(18(29)11-16)39-22-9-10-30-19-12-23(36-3)28(37-4)33-25(19)22/h5-13H,1-4H3,(H,31,34)(H,32,35).

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

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 530.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 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]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156841076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).