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

C27H38F3N3O4Si — CID 10030539

IUPAC2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O
InChIInChI=1S/C27H38F3N3O4Si/c1-17(2)23(24(27(28,29)30)37-38(7,8)26(4,5)6)32-22(35)16-33-21(19-12-10-9-11-13-19)15-14-20(25(33)36)31-18(3)34/h9-15,17,23-24H,16H2,1-8H3,(H,31,34)(H,32,35)
InChIKeyVVWSWNURLXKCHS-UHFFFAOYSA-N
MW553.70 g/mol
LogP5.57
Rot. Bonds9

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

2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (PubChem CID 10030539) has the molecular formula C27H38F3N3O4Si and a molecular weight of 553.70 g/mol. Its IUPAC name is 2-(3-acetamido-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 Name2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
PubChem CID10030539
Molecular FormulaC27H38F3N3O4Si
Molecular Weight553.70 g/mol
Exact Mass553.26
IUPAC Name2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O
InChIInChI=1S/C27H38F3N3O4Si/c1-17(2)23(24(27(28,29)30)37-38(7,8)26(4,5)6)32-22(35)16-33-21(19-12-10-9-11-13-19)15-14-20(25(33)36)31-18(3)34/h9-15,17,23-24H,16H2,1-8H3,(H,31,34)(H,32,35)
InChIKeyVVWSWNURLXKCHS-UHFFFAOYSA-N
XLogP5.57
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.70
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-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-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (CID 10030539) is 2-(3-acetamido-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-acetamido-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-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is CC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O.
What is the InChIKey of 2-(3-acetamido-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 VVWSWNURLXKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F3N3O4Si/c1-17(2)23(24(27(28,29)30)37-38(7,8)26(4,5)6)32-22(35)16-33-21(19-12-10-9-11-13-19)15-14-20(25(33)36)31-18(3)34/h9-15,17,23-24H,16H2,1-8H3,(H,31,34)(H,32,35).
What are the key properties of 2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?
2-(3-acetamido-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 553.70 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-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 10030539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).