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

C24H18F3N5O2 — CID 58587740

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

3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 58587740) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 58587740
• Molecular Formula: C24H18F3N5O2
• Molecular Weight: 465.44 g/mol
• Exact Mass: 465.14
• IUPAC Name: 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)c2)n1
• InChI: InChI=1S/C24H18F3N5O2/c1-28-23-30-12-10-20(32-23)19-9-4-11-29-22(19)34-18-8-2-5-15(13-18)21(33)31-17-7-3-6-16(14-17)24(25,26)27/h2-14H,1H3,(H,31,33)(H,28,30,32)
• InChIKey: CSESEPLBIQROGO-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.44
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 58587740) is 3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for 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)c2)n1.

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

The InChIKey is CSESEPLBIQROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-28-23-30-12-10-20(32-23)19-9-4-11-29-22(19)34-18-8-2-5-15(13-18)21(33)31-17-7-3-6-16(14-17)24(25,26)27/h2-14H,1H3,(H,31,33)(H,28,30,32).

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

3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 465.44 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58587740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).