5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile

C13H20N4 — CID 79477729

IUPAC5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile
SMILESCCC(C)CN(CC)c1ncc(N)cc1C#N
InChIInChI=1S/C13H20N4/c1-4-10(3)9-17(5-2)13-11(7-14)6-12(15)8-16-13/h6,8,10H,4-5,9,15H2,1-3H3
InChIKeyHSZJTQMDVTVHMX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.41
Rot. Bonds5

About 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile

5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile (PubChem CID 79477729) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile
PubChem CID79477729
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile
SMILESCCC(C)CN(CC)c1ncc(N)cc1C#N
InChIInChI=1S/C13H20N4/c1-4-10(3)9-17(5-2)13-11(7-14)6-12(15)8-16-13/h6,8,10H,4-5,9,15H2,1-3H3
InChIKeyHSZJTQMDVTVHMX-UHFFFAOYSA-N
XLogP2.41
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[ethyl(2-methylbutyl)amino]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 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile (CID 79477729) is 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile is CCC(C)CN(CC)c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile?
The InChIKey is HSZJTQMDVTVHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-10(3)9-17(5-2)13-11(7-14)6-12(15)8-16-13/h6,8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile?
5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79477729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).