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

C25H36F3N3O3Si — CID 67820963

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

2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (PubChem CID 67820963) 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-1H-pyridin-4-yl)-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-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
• PubChem CID: 67820963
• Molecular Formula: C25H36F3N3O3Si
• Molecular Weight: 511.66 g/mol
• Exact Mass: 511.25
• IUPAC Name: 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
• SMILES: CC(C)C(NC(=O)Cc1cc(-c2ccccc2)[nH]c(=O)c1N)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C25H36F3N3O3Si/c1-15(2)21(22(25(26,27)28)34-35(6,7)24(3,4)5)31-19(32)14-17-13-18(30-23(33)20(17)29)16-11-9-8-10-12-16/h8-13,15,21-22H,14,29H2,1-7H3,(H,30,33)(H,31,32)
• InChIKey: TVSMWSOTBKSOHH-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 97.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.66
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-1H-pyridin-4-yl)-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-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (CID 67820963) is 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)-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-1H-pyridin-4-yl)-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-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is CC(C)C(NC(=O)Cc1cc(-c2ccccc2)[nH]c(=O)c1N)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-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?

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

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

2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)-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 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 67820963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).