3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile

C15H16N4 — CID 82816750

IUPAC3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCc1cccc(CCNc2nccc(C#N)c2N)c1
InChIInChI=1S/C15H16N4/c1-11-3-2-4-12(9-11)5-7-18-15-14(17)13(10-16)6-8-19-15/h2-4,6,8-9H,5,7,17H2,1H3,(H,18,19)
InChIKeyHCDCSJYOYOQKJD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile

3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 82816750) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID82816750
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCc1cccc(CCNc2nccc(C#N)c2N)c1
InChIInChI=1S/C15H16N4/c1-11-3-2-4-12(9-11)5-7-18-15-14(17)13(10-16)6-8-19-15/h2-4,6,8-9H,5,7,17H2,1H3,(H,18,19)
InChIKeyHCDCSJYOYOQKJD-UHFFFAOYSA-N
XLogP2.50
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-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

3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile (CID 82816750) is 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile is Cc1cccc(CCNc2nccc(C#N)c2N)c1.
What is the InChIKey of 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is HCDCSJYOYOQKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-3-2-4-12(9-11)5-7-18-15-14(17)13(10-16)6-8-19-15/h2-4,6,8-9H,5,7,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile?
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82816750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).