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

C27H21FN4O6 — CID 156840982

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

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 156840982) has the molecular formula C27H21FN4O6 and a molecular weight of 516.49 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 156840982
• Molecular Formula: C27H21FN4O6
• Molecular Weight: 516.49 g/mol
• Exact Mass: 516.14
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c[nH]c(C)c(-c5ccoc5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C27H21FN4O6/c1-14-23(15-7-9-37-13-15)25(33)17(12-30-14)26(34)31-16-4-5-20(18(28)10-16)38-21-6-8-29-19-11-22(35-2)27(36-3)32-24(19)21/h4-13H,1-3H3,(H,30,33)(H,31,34)
• InChIKey: NEFMRZONQLCBLZ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 128.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.49
LogP ≤ 5	5.09
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]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 156840982) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-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]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c[nH]c(C)c(-c5ccoc5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is NEFMRZONQLCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O6/c1-14-23(15-7-9-37-13-15)25(33)17(12-30-14)26(34)31-16-4-5-20(18(28)10-16)38-21-6-8-29-19-11-22(35-2)27(36-3)32-24(19)21/h4-13H,1-3H3,(H,30,33)(H,31,34).

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

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 516.49 g/mol, XLogP of 5.09, 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]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156840982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).