6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile

C14H19N3 — CID 60706429

IUPAC6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
SMILESCC1CCC(N(C)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H19N3/c1-11-3-6-13(7-4-11)17(2)14-8-5-12(9-15)10-16-14/h5,8,10-11,13H,3-4,6-7H2,1-2H3
InChIKeyWWJUMSQSQNAFLM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds2

About 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile

6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile (PubChem CID 60706429) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
PubChem CID60706429
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
SMILESCC1CCC(N(C)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H19N3/c1-11-3-6-13(7-4-11)17(2)14-8-5-12(9-15)10-16-14/h5,8,10-11,13H,3-4,6-7H2,1-2H3
InChIKeyWWJUMSQSQNAFLM-UHFFFAOYSA-N
XLogP2.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[methyl-(4-methylcyclohexyl)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 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile (CID 60706429) is 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile is CC1CCC(N(C)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile?
The InChIKey is WWJUMSQSQNAFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-6-13(7-4-11)17(2)14-8-5-12(9-15)10-16-14/h5,8,10-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile?
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 60706429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).