2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile

C20H16ClN3 — CID 3324008

IUPAC2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C)c(-c3cccc(Cl)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H16ClN3/c1-12-6-8-14(9-7-12)18-13(2)19(24-20(23)17(18)11-22)15-4-3-5-16(21)10-15/h3-10H,1-2H3,(H2,23,24)
InChIKeyUKMHRTKKKGWNEE-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.14
Rot. Bonds2

About 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile

2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 3324008) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID3324008
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C)c(-c3cccc(Cl)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H16ClN3/c1-12-6-8-14(9-7-12)18-13(2)19(24-20(23)17(18)11-22)15-4-3-5-16(21)10-15/h3-10H,1-2H3,(H2,23,24)
InChIKeyUKMHRTKKKGWNEE-UHFFFAOYSA-N
XLogP5.14
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3326015
2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3324150
2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326017
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-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326018
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 3324008) is 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2c(C)c(-c3cccc(Cl)c3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is UKMHRTKKKGWNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c1-12-6-8-14(9-7-12)18-13(2)19(24-20(23)17(18)11-22)15-4-3-5-16(21)10-15/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile?
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 333.82 g/mol, XLogP of 5.14, 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)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3324008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).