2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide

C25H36F3N3O3Si — CID 173249811

IUPAC2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide
SMILESCC(C)(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)(O[SiH3])C(C)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C25H36F3N3O3Si/c1-21(2,3)23(7,25(26,27)28)24(34-35,22(4,5)6)30-19(32)15-31-18(14-13-17(29)20(31)33)16-11-9-8-10-12-16/h8-14H,15,29H2,1-7,35H3,(H,30,32)
InChIKeyXOOPQELSYDUVOP-UHFFFAOYSA-N
MW511.66 g/mol
LogP3.87
Rot. Bonds6

About 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide

2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide (PubChem CID 173249811) 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-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide
PubChem CID173249811
Molecular FormulaC25H36F3N3O3Si
Molecular Weight511.66 g/mol
Exact Mass511.25
IUPAC Name2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide
SMILESCC(C)(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)(O[SiH3])C(C)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C25H36F3N3O3Si/c1-21(2,3)23(7,25(26,27)28)24(34-35,22(4,5)6)30-19(32)15-31-18(14-13-17(29)20(31)33)16-11-9-8-10-12-16/h8-14H,15,29H2,1-7,35H3,(H,30,32)
InChIKeyXOOPQELSYDUVOP-UHFFFAOYSA-N
XLogP3.87
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.66
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide?
The IUPAC name of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide (CID 173249811) is 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide is CC(C)(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)(O[SiH3])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-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide?
The InChIKey is XOOPQELSYDUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N3O3Si/c1-21(2,3)23(7,25(26,27)28)24(34-35,22(4,5)6)30-19(32)15-31-18(14-13-17(29)20(31)33)16-11-9-8-10-12-16/h8-14H,15,29H2,1-7,35H3,(H,30,32).
What are the key properties of 2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide?
2-(3-amino-2-oxo-6-phenyl-1-pyridinyl)-N-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide has a molecular weight of 511.66 g/mol, XLogP of 3.87, 6 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-[2,2,4,5,5-pentamethyl-3-silyloxy-4-(trifluoromethyl)hexan-3-yl]acetamide is sourced from PubChem (CID 173249811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).