4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile

C22H20Cl2N2O — CID 141147951

IUPAC4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile
SMILESCCC1=C(c2ccc(OC)cc2)NC(C)=C(C#N)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O/c1-4-17-21(18-10-7-15(23)11-20(18)24)19(12-25)13(2)26-22(17)14-5-8-16(27-3)9-6-14/h5-11,21,26H,4H2,1-3H3
InChIKeyIQLCIIIYXLRNOT-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.31
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile

4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile (PubChem CID 141147951) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile
PubChem CID141147951
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile
SMILESCCC1=C(c2ccc(OC)cc2)NC(C)=C(C#N)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O/c1-4-17-21(18-10-7-15(23)11-20(18)24)19(12-25)13(2)26-22(17)14-5-8-16(27-3)9-6-14/h5-11,21,26H,4H2,1-3H3
InChIKeyIQLCIIIYXLRNOT-UHFFFAOYSA-N
XLogP6.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-cyano-4-(2,4-dichlorophenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 70946345
5-cyano-4-(2,4-dichlorophenyl)-3-ethyl-2-(4-methoxyphenyl)-6-methyl-2,4-dihydro-1H-pyridine-3-carboxylic acid
CID 68803529
2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67237165
(3S)-3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile
CID 1485728
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
(4R,7R)-7-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 1360001
(4S)-6-amino-4-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1402428
methyl (4R)-6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-ethyl-4H-pyran-3-carboxylate
CID 7123408
[2-amino-3-cyano-4-(2,4-dichlorophenyl)-4H-chromen-7-yl] 4-methylbenzoate
CID 19122142
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
(4-methoxyphenyl)methyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2864019
6-amino-4-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
CID 126477419

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile (CID 141147951) is 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile is CCC1=C(c2ccc(OC)cc2)NC(C)=C(C#N)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile?
The InChIKey is IQLCIIIYXLRNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-4-17-21(18-10-7-15(23)11-20(18)24)19(12-25)13(2)26-22(17)14-5-8-16(27-3)9-6-14/h5-11,21,26H,4H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile?
4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile has a molecular weight of 399.32 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-ethyl-6-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 141147951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).