2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile

C18H20N2 — CID 82091574

IUPAC2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
SMILESCC(C)(C)c1ccc(C(C#N)Cc2cccnc2)cc1
InChIInChI=1S/C18H20N2/c1-18(2,3)17-8-6-15(7-9-17)16(12-19)11-14-5-4-10-20-13-14/h4-10,13,16H,11H2,1-3H3
InChIKeyNJQYHIBKZFHIIT-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile

2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile (PubChem CID 82091574) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
PubChem CID82091574
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
SMILESCC(C)(C)c1ccc(C(C#N)Cc2cccnc2)cc1
InChIInChI=1S/C18H20N2/c1-18(2,3)17-8-6-15(7-9-17)16(12-19)11-14-5-4-10-20-13-14/h4-10,13,16H,11H2,1-3H3
InChIKeyNJQYHIBKZFHIIT-UHFFFAOYSA-N
XLogP4.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
CID 82019992
2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
CID 82074886
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105140459
(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile
CID 97034653
2,3-bis[4-(trifluoromethyl)phenyl]propanenitrile
CID 594365
2-(4-tert-butylphenyl)hexanenitrile
CID 164597888
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
CID 104736266
3-(4-tert-butylphenyl)-2-(3-chloro-4-methoxyphenyl)propanenitrile
CID 82140135
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
2-(3-chlorophenyl)-2-methyl-3-phenyl-4-pyridin-3-ylbutanenitrile
CID 70448206
2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide
CID 142792605

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile (CID 82091574) is 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile is CC(C)(C)c1ccc(C(C#N)Cc2cccnc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile?
The InChIKey is NJQYHIBKZFHIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-18(2,3)17-8-6-15(7-9-17)16(12-19)11-14-5-4-10-20-13-14/h4-10,13,16H,11H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile?
2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile has a molecular weight of 264.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 82091574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).