5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile

C11H16N6 — CID 83003145

IUPAC5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
SMILESCN1CCN(Nc2ncc(N)cc2C#N)CC1
InChIInChI=1S/C11H16N6/c1-16-2-4-17(5-3-16)15-11-9(7-12)6-10(13)8-14-11/h6,8H,2-5,13H2,1H3,(H,14,15)
InChIKeyNVZLRGCUMLAWCZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.11
Rot. Bonds2

About 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile

5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile (PubChem CID 83003145) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
PubChem CID83003145
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
SMILESCN1CCN(Nc2ncc(N)cc2C#N)CC1
InChIInChI=1S/C11H16N6/c1-16-2-4-17(5-3-16)15-11-9(7-12)6-10(13)8-14-11/h6,8H,2-5,13H2,1H3,(H,14,15)
InChIKeyNVZLRGCUMLAWCZ-UHFFFAOYSA-N
XLogP0.11
TPSA81.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(4-methylpiperazin-1-yl)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-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile (CID 83003145) is 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile is CN1CCN(Nc2ncc(N)cc2C#N)CC1.
What is the InChIKey of 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
The InChIKey is NVZLRGCUMLAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16-2-4-17(5-3-16)15-11-9(7-12)6-10(13)8-14-11/h6,8H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 83003145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).