N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C25H26F3N5O — CID 122287908

About N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122287908) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 122287908
• Molecular Formula: C25H26F3N5O
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.21
• IUPAC Name: N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)n1
• InChI: InChI=1S/C25H26F3N5O/c1-17-14-22(33-12-3-2-4-13-33)32-24(29-17)31-21-10-8-20(9-11-21)30-23(34)16-18-6-5-7-19(15-18)25(26,27)28/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,30,34)(H,29,31,32)
• InChIKey: GQNYOHZWITXLAR-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 122287908) is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)n1.

What is the InChIKey of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is GQNYOHZWITXLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-17-14-22(33-12-3-2-4-13-33)32-24(29-17)31-21-10-8-20(9-11-21)30-23(34)16-18-6-5-7-19(15-18)25(26,27)28/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,30,34)(H,29,31,32).

What are the key properties of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 469.51 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122287908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).