(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate

C17H27NO3Si — CID 122223702

IUPAC(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate
SMILESCC[Si](CC)(CC)C(=O)C(C)C(OC(C)=O)c1cccnc1
InChIInChI=1S/C17H27NO3Si/c1-6-22(7-2,8-3)17(20)13(4)16(21-14(5)19)15-10-9-11-18-12-15/h9-13,16H,6-8H2,1-5H3
InChIKeyWYGBEWFUJYCUJA-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.94
Rot. Bonds8

About (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate

(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate (PubChem CID 122223702) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate.

Molecular Properties

Compound Name(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate
PubChem CID122223702
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate
SMILESCC[Si](CC)(CC)C(=O)C(C)C(OC(C)=O)c1cccnc1
InChIInChI=1S/C17H27NO3Si/c1-6-22(7-2,8-3)17(20)13(4)16(21-14(5)19)15-10-9-11-18-12-15/h9-13,16H,6-8H2,1-5H3
InChIKeyWYGBEWFUJYCUJA-UHFFFAOYSA-N
XLogP3.94
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(S)-(4-propan-2-ylphenyl)-pyridin-3-ylmethyl] acetate
CID 166439139
[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate
CID 5236931
[2-(2,4-dichlorophenoxy)-1-pyridin-3-ylbutyl] acetate
CID 19817142
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
4-O-tert-butyl 1-O-ethyl (3R)-3-methyl-2-pyridin-3-ylbutanedioate
CID 70336338
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
3-pyridin-3-ylbutan-1-ol
CID 23506282
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate?
The IUPAC name of (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate (CID 122223702) is (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate.
What is the SMILES notation for (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate?
The canonical SMILES for (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate is CC[Si](CC)(CC)C(=O)C(C)C(OC(C)=O)c1cccnc1.
What is the InChIKey of (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate?
The InChIKey is WYGBEWFUJYCUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-6-22(7-2,8-3)17(20)13(4)16(21-14(5)19)15-10-9-11-18-12-15/h9-13,16H,6-8H2,1-5H3.
What are the key properties of (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate?
(2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate has a molecular weight of 321.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxo-1-pyridin-3-yl-3-triethylsilylpropyl) acetate is sourced from PubChem (CID 122223702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).