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

C33H43F3N4O4Si — CID 10054961

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

2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (PubChem CID 10054961) has the molecular formula C33H43F3N4O4Si and a molecular weight of 644.81 g/mol. Its IUPAC name is 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
• PubChem CID: 10054961
• Molecular Formula: C33H43F3N4O4Si
• Molecular Weight: 644.81 g/mol
• Exact Mass: 644.30
• IUPAC Name: 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C33H43F3N4O4Si/c1-22(2)28(29(33(34,35)36)44-45(6,7)32(3,4)5)39-27(41)21-40-26(24-16-12-9-13-17-24)19-18-25(30(40)42)38-31(43)37-20-23-14-10-8-11-15-23/h8-19,22,28-29H,20-21H2,1-7H3,(H,39,41)(H2,37,38,43)
• InChIKey: IODRGSDYMZKZCT-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 101.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.81
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	3
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-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?

The IUPAC name of 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (CID 10054961) is 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide.

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

The canonical SMILES for 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F.

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

The InChIKey is IODRGSDYMZKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F3N4O4Si/c1-22(2)28(29(33(34,35)36)44-45(6,7)32(3,4)5)39-27(41)21-40-26(24-16-12-9-13-17-24)19-18-25(30(40)42)38-31(43)37-20-23-14-10-8-11-15-23/h8-19,22,28-29H,20-21H2,1-7H3,(H,39,41)(H2,37,38,43).

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

2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide has a molecular weight of 644.81 g/mol, XLogP of 6.93, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(benzylcarbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 10054961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).