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

C23H18BrFN4O3 — CID 167666223

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

5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 167666223) has the molecular formula C23H18BrFN4O3 and a molecular weight of 497.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 167666223
• Molecular Formula: C23H18BrFN4O3
• Molecular Weight: 497.32 g/mol
• Exact Mass: 496.05
• IUPAC Name: 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]cc(Br)c4=O)cc3F)c2nc1C
• InChI: InChI=1S/C23H18BrFN4O3/c1-11-8-17-21(28-12(11)2)19(6-7-26-17)32-18-5-4-14(9-16(18)25)29-23(31)20-13(3)27-10-15(24)22(20)30/h4-10H,1-3H3,(H,27,30)(H,29,31)
• InChIKey: SRJTWPJOCGHPGD-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.32
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 167666223) is 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide.

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

The canonical SMILES for 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]cc(Br)c4=O)cc3F)c2nc1C.

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

The InChIKey is SRJTWPJOCGHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN4O3/c1-11-8-17-21(28-12(11)2)19(6-7-26-17)32-18-5-4-14(9-16(18)25)29-23(31)20-13(3)27-10-15(24)22(20)30/h4-10H,1-3H3,(H,27,30)(H,29,31).

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

5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 497.32 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[4-[(6,7-dimethyl-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167666223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).