3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile

C13H13N5 — CID 82816791

IUPAC3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2ccccn2)c1N
InChIInChI=1S/C13H13N5/c14-9-10-4-7-17-13(12(10)15)18-8-5-11-3-1-2-6-16-11/h1-4,6-7H,5,8,15H2,(H,17,18)
InChIKeyLSOUFCOMFQSZJX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile

3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile (PubChem CID 82816791) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
PubChem CID82816791
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2ccccn2)c1N
InChIInChI=1S/C13H13N5/c14-9-10-4-7-17-13(12(10)15)18-8-5-11-3-1-2-6-16-11/h1-4,6-7H,5,8,15H2,(H,17,18)
InChIKeyLSOUFCOMFQSZJX-UHFFFAOYSA-N
XLogP1.59
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-(2-pyridin-2-ylethylamino)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-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
3-amino-2-[(2-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816953
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile (CID 82816791) is 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCc2ccccn2)c1N.
What is the InChIKey of 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is LSOUFCOMFQSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-9-10-4-7-17-13(12(10)15)18-8-5-11-3-1-2-6-16-11/h1-4,6-7H,5,8,15H2,(H,17,18).
What are the key properties of 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).