6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile

C25H26N2 — CID 164796417

IUPAC6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(C)cc(-c2cc(-c3ccc(CC(C)(C)C)cc3)c(C#N)cn2)c1
InChIInChI=1S/C25H26N2/c1-17-10-18(2)12-21(11-17)24-13-23(22(15-26)16-27-24)20-8-6-19(7-9-20)14-25(3,4)5/h6-13,16H,14H2,1-5H3
InChIKeyKNYHUIQMPCOXMV-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.49
Rot. Bonds3

About 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile

6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile (PubChem CID 164796417) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile
PubChem CID164796417
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(C)cc(-c2cc(-c3ccc(CC(C)(C)C)cc3)c(C#N)cn2)c1
InChIInChI=1S/C25H26N2/c1-17-10-18(2)12-21(11-17)24-13-23(22(15-26)16-27-24)20-8-6-19(7-9-20)14-25(3,4)5/h6-13,16H,14H2,1-5H3
InChIKeyKNYHUIQMPCOXMV-UHFFFAOYSA-N
XLogP6.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
CID 164796395
4-(2,2-dimethylpropyl)-2-(4-methylphenyl)pyridine
CID 162485913
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
2,4,6-tris[4-(2,2-dimethylpropyl)phenyl]-1,3,5-triazine
CID 140828529
4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
CID 170284634
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
CID 21388867
3-(3,5-dimethylphenyl)-6-ethylisoquinoline
CID 170527343
2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
CID 164912177
3-[2-(3,5-dimethylphenyl)quinolin-7-yl]-2,2-dimethylpropanenitrile
CID 167260893
5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
CID 70842748
4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile
CID 175701819

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile (CID 164796417) is 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile is Cc1cc(C)cc(-c2cc(-c3ccc(CC(C)(C)C)cc3)c(C#N)cn2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is KNYHUIQMPCOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-17-10-18(2)12-21(11-17)24-13-23(22(15-26)16-27-24)20-8-6-19(7-9-20)14-25(3,4)5/h6-13,16H,14H2,1-5H3.
What are the key properties of 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile?
6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 354.50 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 164796417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).