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

C28H26FN5O6 — CID 164904962

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

5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide (PubChem CID 164904962) has the molecular formula C28H26FN5O6 and a molecular weight of 547.54 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide
• PubChem CID: 164904962
• Molecular Formula: C28H26FN5O6
• Molecular Weight: 547.54 g/mol
• Exact Mass: 547.19
• IUPAC Name: 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(C(=O)NC5CC5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C28H26FN5O6/c1-13-22(26(36)32-15-5-6-15)25(35)23(14(2)31-13)27(37)33-16-7-8-19(17(29)11-16)40-20-9-10-30-18-12-21(38-3)28(39-4)34-24(18)20/h7-12,15H,5-6H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)
• InChIKey: SMIXYIJWWHBEDH-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 144.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.54
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide (CID 164904962) is 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide.

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

The canonical SMILES for 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(C(=O)NC5CC5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is SMIXYIJWWHBEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O6/c1-13-22(26(36)32-15-5-6-15)25(35)23(14(2)31-13)27(37)33-16-7-8-19(17(29)11-16)40-20-9-10-30-18-12-21(38-3)28(39-4)34-24(18)20/h7-12,15H,5-6H2,1-4H3,(H,31,35)(H,32,36)(H,33,37).

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

5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide has a molecular weight of 547.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 164904962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).