2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile

C24H28N4OSi — CID 164912149

IUPAC2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(Nc2nccc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C24H28N4OSi/c1-24(2,3)30(4,5)29-17-18-11-13-26-22(15-18)28-23-21(16-25)20(12-14-27-23)19-9-7-6-8-10-19/h6-15H,17H2,1-5H3,(H,26,27,28)
InChIKeyUGBZDIGLCLNSCJ-UHFFFAOYSA-N
MW416.60 g/mol
LogP6.28
Rot. Bonds6

About 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile

2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile (PubChem CID 164912149) has the molecular formula C24H28N4OSi and a molecular weight of 416.60 g/mol. Its IUPAC name is 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
PubChem CID164912149
Molecular FormulaC24H28N4OSi
Molecular Weight416.60 g/mol
Exact Mass416.20
IUPAC Name2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(Nc2nccc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C24H28N4OSi/c1-24(2,3)30(4,5)29-17-18-11-13-26-22(15-18)28-23-21(16-25)20(12-14-27-23)19-9-7-6-8-10-19/h6-15H,17H2,1-5H3,(H,26,27,28)
InChIKeyUGBZDIGLCLNSCJ-UHFFFAOYSA-N
XLogP6.28
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 56.28
H-Bond Donors ≤ 51
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-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile (CID 164912149) is 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile is CC(C)(C)[Si](C)(C)OCc1ccnc(Nc2nccc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
The InChIKey is UGBZDIGLCLNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OSi/c1-24(2,3)30(4,5)29-17-18-11-13-26-22(15-18)28-23-21(16-25)20(12-14-27-23)19-9-7-6-8-10-19/h6-15H,17H2,1-5H3,(H,26,27,28).
What are the key properties of 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile has a molecular weight of 416.60 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).