4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile

C25H29N3OSi — CID 23508429

IUPAC4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CN(c2ccncc2)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H29N3OSi/c1-25(2,3)30(4,5)29-24-12-8-21(9-13-24)19-28(23-14-16-27-17-15-23)22-10-6-20(18-26)7-11-22/h6-17H,19H2,1-5H3
InChIKeyGQPAKMDBVWEOIA-UHFFFAOYSA-N
MW415.61 g/mol
LogP6.68
Rot. Bonds6

About 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile

4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile (PubChem CID 23508429) has the molecular formula C25H29N3OSi and a molecular weight of 415.61 g/mol. Its IUPAC name is 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile.

Molecular Properties

Compound Name4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile
PubChem CID23508429
Molecular FormulaC25H29N3OSi
Molecular Weight415.61 g/mol
Exact Mass415.21
IUPAC Name4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CN(c2ccncc2)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H29N3OSi/c1-25(2,3)30(4,5)29-24-12-8-21(9-13-24)19-28(23-14-16-27-17-15-23)22-10-6-20(18-26)7-11-22/h6-17H,19H2,1-5H3
InChIKeyGQPAKMDBVWEOIA-UHFFFAOYSA-N
XLogP6.68
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.61
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
CID 23508486
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile
CID 117052708
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
CID 155027703
4-[[4-methoxy-N-(thiophen-2-ylmethyl)anilino]methyl]benzonitrile
CID 51110960
N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide
CID 4825964
3-[[N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-4-[tert-butyl(dimethyl)silyl]oxyanilino]methyl]benzonitrile
CID 68970186
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine
CID 171481716

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile?
The IUPAC name of 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile (CID 23508429) is 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile.
What is the SMILES notation for 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile?
The canonical SMILES for 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile is CC(C)(C)[Si](C)(C)Oc1ccc(CN(c2ccncc2)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile?
The InChIKey is GQPAKMDBVWEOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OSi/c1-25(2,3)30(4,5)29-24-12-8-21(9-13-24)19-28(23-14-16-27-17-15-23)22-10-6-20(18-26)7-11-22/h6-17H,19H2,1-5H3.
What are the key properties of 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile?
4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile has a molecular weight of 415.61 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile is sourced from PubChem (CID 23508429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).