6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile

C13H18N4 — CID 79111014

IUPAC6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
SMILESCNC1CCC(Nc2cccc(C#N)n2)CC1
InChIInChI=1S/C13H18N4/c1-15-10-5-7-11(8-6-10)16-13-4-2-3-12(9-14)17-13/h2-4,10-11,15H,5-8H2,1H3,(H,16,17)
InChIKeyKUDDKPNYEQMXSR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds3

About 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile

6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile (PubChem CID 79111014) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
PubChem CID79111014
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
SMILESCNC1CCC(Nc2cccc(C#N)n2)CC1
InChIInChI=1S/C13H18N4/c1-15-10-5-7-11(8-6-10)16-13-4-2-3-12(9-14)17-13/h2-4,10-11,15H,5-8H2,1H3,(H,16,17)
InChIKeyKUDDKPNYEQMXSR-UHFFFAOYSA-N
XLogP1.90
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-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 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile (CID 79111014) is 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile is CNC1CCC(Nc2cccc(C#N)n2)CC1.
What is the InChIKey of 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile?
The InChIKey is KUDDKPNYEQMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-15-10-5-7-11(8-6-10)16-13-4-2-3-12(9-14)17-13/h2-4,10-11,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile?
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79111014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).