7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one

C28H32FN5O2 — CID 122691284

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one (PubChem CID 122691284) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one
• PubChem CID: 122691284
• Molecular Formula: C28H32FN5O2
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.25
• IUPAC Name: 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one
• SMILES: CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2F)c(=O)n3CC)nc1
• InChI: InChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-21-9-11-26(31-18-21)32-27-16-25-20(17-30-27)15-23(28(35)34(25)7-3)22-10-8-19(4)14-24(22)29/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32)
• InChIKey: YRSTUWNWTONJEF-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one?

The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one (CID 122691284) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one.

What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one?

The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2F)c(=O)n3CC)nc1.

What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one?

The InChIKey is YRSTUWNWTONJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-21-9-11-26(31-18-21)32-27-16-25-20(17-30-27)15-23(28(35)34(25)7-3)22-10-8-19(4)14-24(22)29/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32).

What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one?

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one has a molecular weight of 489.60 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 122691284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).