2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile

C21H18ClN3 — CID 3326015

IUPAC2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C)c(-c3cccc(Cl)c3)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C21H18ClN3/c1-12-7-8-17(13(2)9-12)19-14(3)20(25-21(24)18(19)11-23)15-5-4-6-16(22)10-15/h4-10H,1-3H3,(H2,24,25)
InChIKeyIIIBTLSRTNHNNB-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.45
Rot. Bonds2

About 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile

2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3326015) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3326015
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C)c(-c3cccc(Cl)c3)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C21H18ClN3/c1-12-7-8-17(13(2)9-12)19-14(3)20(25-21(24)18(19)11-23)15-5-4-6-16(22)10-15/h4-10H,1-3H3,(H2,24,25)
InChIKeyIIIBTLSRTNHNNB-UHFFFAOYSA-N
XLogP5.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-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

2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3324150
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326018
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326017
2-amino-4-(2,4-dimethylphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634508
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile (CID 3326015) is 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile is Cc1ccc(-c2c(C)c(-c3cccc(Cl)c3)nc(N)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is IIIBTLSRTNHNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3/c1-12-7-8-17(13(2)9-12)19-14(3)20(25-21(24)18(19)11-23)15-5-4-6-16(22)10-15/h4-10H,1-3H3,(H2,24,25).
What are the key properties of 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 347.85 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3326015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).