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

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Related Compounds

2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 3418568
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride
CID 17384327
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
CID 5088548
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088555
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737

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).