2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate

C17H28N2O4Si — CID 123222771

IUPAC2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)Nc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C17H28N2O4Si/c1-24(2,3)12-11-23-17(22)18-15-5-4-10-19(16(15)21)13-6-8-14(20)9-7-13/h4-5,10,13-14,20H,6-9,11-12H2,1-3H3,(H,18,22)
InChIKeyLIEHABZEOMEMEV-UHFFFAOYSA-N
MW352.51 g/mol
LogP3.21
Rot. Bonds5

About 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate

2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 123222771) has the molecular formula C17H28N2O4Si and a molecular weight of 352.51 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID123222771
Molecular FormulaC17H28N2O4Si
Molecular Weight352.51 g/mol
Exact Mass352.18
IUPAC Name2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)Nc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C17H28N2O4Si/c1-24(2,3)12-11-23-17(22)18-15-5-4-10-19(16(15)21)13-6-8-14(20)9-7-13/h4-5,10,13-14,20H,6-9,11-12H2,1-3H3,(H,18,22)
InChIKeyLIEHABZEOMEMEV-UHFFFAOYSA-N
XLogP3.21
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 53.21
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-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate (CID 123222771) is 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate is C[Si](C)(C)CCOC(=O)Nc1cccn(C2CCC(O)CC2)c1=O.
What is the InChIKey of 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is LIEHABZEOMEMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4Si/c1-24(2,3)12-11-23-17(22)18-15-5-4-10-19(16(15)21)13-6-8-14(20)9-7-13/h4-5,10,13-14,20H,6-9,11-12H2,1-3H3,(H,18,22).
What are the key properties of 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate?
2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 352.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[1-(4-hydroxycyclohexyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 123222771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).