N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide

C32H42F3N5O4Si — CID 10032140

About N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide (PubChem CID 10032140) has the molecular formula C32H42F3N5O4Si and a molecular weight of 645.80 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide
• PubChem CID: 10032140
• Molecular Formula: C32H42F3N5O4Si
• Molecular Weight: 645.80 g/mol
• Exact Mass: 645.30
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccn2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C32H42F3N5O4Si/c1-21(2)27(28(32(33,34)35)44-45(6,7)31(3,4)5)39-26(41)20-40-25(22-13-9-8-10-14-22)17-16-24(29(40)42)38-30(43)37-19-23-15-11-12-18-36-23/h8-18,21,27-28H,19-20H2,1-7H3,(H,39,41)(H2,37,38,43)
• InChIKey: JSGQLHRQHRYCDZ-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.80
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide (CID 10032140) is N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccn2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide?

The InChIKey is JSGQLHRQHRYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F3N5O4Si/c1-21(2)27(28(32(33,34)35)44-45(6,7)31(3,4)5)39-26(41)20-40-25(22-13-9-8-10-14-22)17-16-24(29(40)42)38-30(43)37-19-23-15-11-12-18-36-23/h8-18,21,27-28H,19-20H2,1-7H3,(H,39,41)(H2,37,38,43).

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide?

N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide has a molecular weight of 645.80 g/mol, XLogP of 6.33, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide is sourced from PubChem (CID 10032140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).