4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide

C24H34N2O4Si — CID 86719007

IUPAC4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1-c1nc(C=O)ccc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H34N2O4Si/c1-17-15-18(23(28)26(5)6)9-11-20(17)22-21(12-10-19(16-27)25-22)29-13-14-30-31(7,8)24(2,3)4/h9-12,15-16H,13-14H2,1-8H3
InChIKeyZXYUBXLKDUPASR-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.97
Rot. Bonds8

About 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide

4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide (PubChem CID 86719007) has the molecular formula C24H34N2O4Si and a molecular weight of 442.63 g/mol. Its IUPAC name is 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide
PubChem CID86719007
Molecular FormulaC24H34N2O4Si
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC Name4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1-c1nc(C=O)ccc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H34N2O4Si/c1-17-15-18(23(28)26(5)6)9-11-20(17)22-21(12-10-19(16-27)25-22)29-13-14-30-31(7,8)24(2,3)4/h9-12,15-16H,13-14H2,1-8H3
InChIKeyZXYUBXLKDUPASR-UHFFFAOYSA-N
XLogP4.97
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide?
The IUPAC name of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide (CID 86719007) is 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide is Cc1cc(C(=O)N(C)C)ccc1-c1nc(C=O)ccc1OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide?
The InChIKey is ZXYUBXLKDUPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4Si/c1-17-15-18(23(28)26(5)6)9-11-20(17)22-21(12-10-19(16-27)25-22)29-13-14-30-31(7,8)24(2,3)4/h9-12,15-16H,13-14H2,1-8H3.
What are the key properties of 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide?
4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide has a molecular weight of 442.63 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-formyl-2-pyridinyl]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 86719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).