4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C18H16ClN3 — CID 11836127

IUPAC4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(/C=C(\Cl)c2ccc(C)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C18H16ClN3/c1-11-4-6-14(7-5-11)18(19)8-15-16(9-20)12(2)22-13(3)17(15)10-21/h4-8,15,22H,1-3H3/b18-8-
InChIKeyNTAFSDVZGWXYEK-LSCVHKIXSA-N
MW309.80 g/mol
LogP4.39
Rot. Bonds2

About 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 11836127) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID11836127
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(/C=C(\Cl)c2ccc(C)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C18H16ClN3/c1-11-4-6-14(7-5-11)18(19)8-15-16(9-20)12(2)22-13(3)17(15)10-21/h4-8,15,22H,1-3H3/b18-8-
InChIKeyNTAFSDVZGWXYEK-LSCVHKIXSA-N
XLogP4.39
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 11836127) is 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(/C=C(\Cl)c2ccc(C)cc2)C(C#N)=C(C)N1.
What is the InChIKey of 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is NTAFSDVZGWXYEK-LSCVHKIXSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-11-4-6-14(7-5-11)18(19)8-15-16(9-20)12(2)22-13(3)17(15)10-21/h4-8,15,22H,1-3H3/b18-8-.
What are the key properties of 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 309.80 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloro-2-(4-methylphenyl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11836127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).