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

C25H36F3N3O3Si — CID 10391657

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

2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (PubChem CID 10391657) has the molecular formula C25H36F3N3O3Si and a molecular weight of 511.66 g/mol. Its IUPAC name is 2-(3-amino-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-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
• PubChem CID: 10391657
• Molecular Formula: C25H36F3N3O3Si
• Molecular Weight: 511.66 g/mol
• Exact Mass: 511.25
• IUPAC Name: 2-(3-amino-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(N)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C25H36F3N3O3Si/c1-16(2)21(22(25(26,27)28)34-35(6,7)24(3,4)5)30-20(32)15-31-19(14-13-18(29)23(31)33)17-11-9-8-10-12-17/h8-14,16,21-22H,15,29H2,1-7H3,(H,30,32)
• InChIKey: HTJSLXFISAPKLD-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 86.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.66
LogP ≤ 5	5.19
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-(3-amino-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-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (CID 10391657) is 2-(3-amino-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-amino-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-amino-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(N)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F.

What is the InChIKey of 2-(3-amino-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 HTJSLXFISAPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N3O3Si/c1-16(2)21(22(25(26,27)28)34-35(6,7)24(3,4)5)30-20(32)15-31-19(14-13-18(29)23(31)33)17-11-9-8-10-12-17/h8-14,16,21-22H,15,29H2,1-7H3,(H,30,32).

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

2-(3-amino-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 511.66 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-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 10391657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).