4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide

C24H36N2OSi — CID 135076008

IUPAC4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc([Si](c2ccccn2)(C(C)C)C(C)C)cc1)C(C)C
InChIInChI=1S/C24H36N2OSi/c1-17(2)26(18(3)4)24(27)21-12-14-22(15-13-21)28(19(5)6,20(7)8)23-11-9-10-16-25-23/h9-20H,1-8H3
InChIKeyXXXQLOBUDAYKJW-UHFFFAOYSA-N
MW396.65 g/mol
LogP4.72
Rot. Bonds7

About 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide

4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 135076008) has the molecular formula C24H36N2OSi and a molecular weight of 396.65 g/mol. Its IUPAC name is 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide
PubChem CID135076008
Molecular FormulaC24H36N2OSi
Molecular Weight396.65 g/mol
Exact Mass396.26
IUPAC Name4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc([Si](c2ccccn2)(C(C)C)C(C)C)cc1)C(C)C
InChIInChI=1S/C24H36N2OSi/c1-17(2)26(18(3)4)24(27)21-12-14-22(15-13-21)28(19(5)6,20(7)8)23-11-9-10-16-25-23/h9-20H,1-8H3
InChIKeyXXXQLOBUDAYKJW-UHFFFAOYSA-N
XLogP4.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide (CID 135076008) is 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc([Si](c2ccccn2)(C(C)C)C(C)C)cc1)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is XXXQLOBUDAYKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2OSi/c1-17(2)26(18(3)4)24(27)21-12-14-22(15-13-21)28(19(5)6,20(7)8)23-11-9-10-16-25-23/h9-20H,1-8H3.
What are the key properties of 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide?
4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 396.65 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)-pyridin-2-ylsilyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 135076008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).