[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone

C22H29NO3Si — CID 67396211

IUPAC[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2cccc(O[Si](C)(C)C(C)(C)C)c2)ccc1C1CC1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)27(5,6)26-17-9-7-8-16(14-17)20(24)19-13-12-18(15-10-11-15)21(23-19)25-4/h7-9,12-15H,10-11H2,1-6H3
InChIKeySDJIVOYHKRNHAJ-UHFFFAOYSA-N
MW383.56 g/mol
LogP5.58
Rot. Bonds6

About [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone

[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (PubChem CID 67396211) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
PubChem CID67396211
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2cccc(O[Si](C)(C)C(C)(C)C)c2)ccc1C1CC1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)27(5,6)26-17-9-7-8-16(14-17)20(24)19-13-12-18(15-10-11-15)21(23-19)25-4/h7-9,12-15H,10-11H2,1-6H3
InChIKeySDJIVOYHKRNHAJ-UHFFFAOYSA-N
XLogP5.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (CID 67396211) is [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is COc1nc(C(=O)c2cccc(O[Si](C)(C)C(C)(C)C)c2)ccc1C1CC1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The InChIKey is SDJIVOYHKRNHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-22(2,3)27(5,6)26-17-9-7-8-16(14-17)20(24)19-13-12-18(15-10-11-15)21(23-19)25-4/h7-9,12-15H,10-11H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone has a molecular weight of 383.56 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 67396211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).