2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

C25H20F3N5O2 — CID 58588294

About 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 58588294) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 58588294
• Molecular Formula: C25H20F3N5O2
• Molecular Weight: 479.46 g/mol
• Exact Mass: 479.16
• IUPAC Name: 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: CNc1nccc(-c2cccnc2Oc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)n1
• InChI: InChI=1S/C25H20F3N5O2/c1-15-18(22(34)32-17-7-3-6-16(14-17)25(26,27)28)8-4-10-21(15)35-23-19(9-5-12-30-23)20-11-13-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
• InChIKey: FKKAZYSGASJZGI-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.46
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 58588294) is 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is CNc1nccc(-c2cccnc2Oc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)n1.

What is the InChIKey of 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is FKKAZYSGASJZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-15-18(22(34)32-17-7-3-6-16(14-17)25(26,27)28)8-4-10-21(15)35-23-19(9-5-12-30-23)20-11-13-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33).

What are the key properties of 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 479.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58588294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).