2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C27H39F3N4O2Si — CID 71244606

About 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 71244606) has the molecular formula C27H39F3N4O2Si and a molecular weight of 536.72 g/mol. Its IUPAC name is 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
• PubChem CID: 71244606
• Molecular Formula: C27H39F3N4O2Si
• Molecular Weight: 536.72 g/mol
• Exact Mass: 536.28
• IUPAC Name: 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
• SMILES: CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cncc(CCC(C)(C)[Si](C)(C)O)c2)CC1
• InChI: InChI=1S/C27H39F3N4O2Si/c1-19-9-12-34(13-10-19)25-22(6-7-23(33-25)27(28,29)30)18-32-24(35)15-21-14-20(16-31-17-21)8-11-26(2,3)37(4,5)36/h6-7,14,16-17,19,36H,8-13,15,18H2,1-5H3,(H,32,35)
• InChIKey: MEDVDRZNOOXXSB-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.72
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

The IUPAC name of 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 71244606) is 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

What is the SMILES notation for 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

The canonical SMILES for 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cncc(CCC(C)(C)[Si](C)(C)O)c2)CC1.

What is the InChIKey of 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

The InChIKey is MEDVDRZNOOXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F3N4O2Si/c1-19-9-12-34(13-10-19)25-22(6-7-23(33-25)27(28,29)30)18-32-24(35)15-21-14-20(16-31-17-21)8-11-26(2,3)37(4,5)36/h6-7,14,16-17,19,36H,8-13,15,18H2,1-5H3,(H,32,35).

What are the key properties of 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 536.72 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 71244606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).