About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide (PubChem CID 152730332) has the molecular formula C24H28N2O2Si
and a molecular weight of 404.59 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide.
Molecular Properties
| Compound Name | N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide |
| PubChem CID | 152730332 |
| Molecular Formula | C24H28N2O2Si |
| Molecular Weight | 404.59 g/mol |
| Exact Mass | 404.19 |
| IUPAC Name | N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide |
| SMILES | CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1 |
| InChI | InChI=1S/C24H28N2O2Si/c1-24(2,3)29(4,5)28-19-15-16-22(25-17-19)26-23(27)21-14-10-9-13-20(21)18-11-7-6-8-12-18/h6-17H,1-5H3,(H,25,26,27) |
| InChIKey | ZXMCPVVIBFGQKH-UHFFFAOYSA-N |
| XLogP | 6.38 |
| TPSA | 51.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 29 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 404.59 |
| LogP ≤ 5 | 6.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide (CID 152730332) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide?
The InChIKey is ZXMCPVVIBFGQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2Si/c1-24(2,3)29(4,5)28-19-15-16-22(25-17-19)26-23(27)21-14-10-9-13-20(21)18-11-7-6-8-12-18/h6-17H,1-5H3,(H,25,26,27).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide has a molecular weight of 404.59 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide is sourced from PubChem (CID 152730332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).