4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile

C14H14N2 — CID 139926182

IUPAC4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile
SMILESCC1=CC(c2ccc(C#N)cc2)C=C(C)N1
InChIInChI=1S/C14H14N2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-8,14,16H,1-2H3
InChIKeyJOOTZTCMEDQJHB-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.05
Rot. Bonds1

About 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile

4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile (PubChem CID 139926182) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile
PubChem CID139926182
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile
SMILESCC1=CC(c2ccc(C#N)cc2)C=C(C)N1
InChIInChI=1S/C14H14N2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-8,14,16H,1-2H3
InChIKeyJOOTZTCMEDQJHB-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopenta-2,4-dien-1-ylbenzonitrile
CID 101062638
4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 18614421
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile
CID 125469118
4-(3,4-diazabicyclo[5.1.0]octa-1(8),5-dien-2-yl)benzonitrile
CID 145004048
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile
CID 45103568
4-(4-methylpiperidin-3-yl)benzonitrile
CID 134389997
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzonitrile
CID 57386740
potassium 4-cyclopropylbenzonitrile
CID 176634269
4-[(1R,2R,3S,4S)-2-(4-cyanophenyl)-3,4-dipyridin-4-ylcyclobutyl]benzonitrile
CID 102059489

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile?
The IUPAC name of 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile (CID 139926182) is 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile.
What is the SMILES notation for 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile?
The canonical SMILES for 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile is CC1=CC(c2ccc(C#N)cc2)C=C(C)N1.
What is the InChIKey of 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile?
The InChIKey is JOOTZTCMEDQJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-8,14,16H,1-2H3.
What are the key properties of 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile?
4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile is sourced from PubChem (CID 139926182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).