2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

C17H19N3 — CID 679608

IUPAC2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(CC(C)C)nc(N)c2C#N)cc1
InChIInChI=1S/C17H19N3/c1-11(2)8-14-9-15(16(10-18)17(19)20-14)13-6-4-12(3)5-7-13/h4-7,9,11H,8H2,1-3H3,(H2,19,20)
InChIKeyIJUKXMWXHLTXAN-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 679608) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID679608
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(CC(C)C)nc(N)c2C#N)cc1
InChIInChI=1S/C17H19N3/c1-11(2)8-14-9-15(16(10-18)17(19)20-14)13-6-4-12(3)5-7-13/h4-7,9,11H,8H2,1-3H3,(H2,19,20)
InChIKeyIJUKXMWXHLTXAN-UHFFFAOYSA-N
XLogP3.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile (CID 679608) is 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(CC(C)C)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is IJUKXMWXHLTXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11(2)8-14-9-15(16(10-18)17(19)20-14)13-6-4-12(3)5-7-13/h4-7,9,11H,8H2,1-3H3,(H2,19,20).
What are the key properties of 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 679608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).