2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

C22H19Cl2N3 — CID 3333698

IUPAC2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H19Cl2N3/c1-12(2)14-4-6-15(7-5-14)20-13(3)21(27-22(26)18(20)11-25)17-9-8-16(23)10-19(17)24/h4-10,12H,1-3H3,(H2,26,27)
InChIKeyXZVVYGCCBXGLGO-UHFFFAOYSA-N
MW396.32 g/mol
LogP6.61
Rot. Bonds3

About 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (PubChem CID 3333698) has the molecular formula C22H19Cl2N3 and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
PubChem CID3333698
Molecular FormulaC22H19Cl2N3
Molecular Weight396.32 g/mol
Exact Mass395.10
IUPAC Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H19Cl2N3/c1-12(2)14-4-6-15(7-5-14)20-13(3)21(27-22(26)18(20)11-25)17-9-8-16(23)10-19(17)24/h4-10,12H,1-3H3,(H2,26,27)
InChIKeyXZVVYGCCBXGLGO-UHFFFAOYSA-N
XLogP6.61
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (CID 3333698) is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is XZVVYGCCBXGLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3/c1-12(2)14-4-6-15(7-5-14)20-13(3)21(27-22(26)18(20)11-25)17-9-8-16(23)10-19(17)24/h4-10,12H,1-3H3,(H2,26,27).
What are the key properties of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 396.32 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3333698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).