2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile

C13H18N4 — CID 79110256

IUPAC2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESCNC1CCC(Nc2ncccc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-15-11-4-6-12(7-5-11)17-13-10(9-14)3-2-8-16-13/h2-3,8,11-12,15H,4-7H2,1H3,(H,16,17)
InChIKeyCFRSHALTJUJSGN-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds3

About 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile

2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile (PubChem CID 79110256) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
PubChem CID79110256
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESCNC1CCC(Nc2ncccc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-15-11-4-6-12(7-5-11)17-13-10(9-14)3-2-8-16-13/h2-3,8,11-12,15H,4-7H2,1H3,(H,16,17)
InChIKeyCFRSHALTJUJSGN-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 2-[[4-(methylamino)cyclohexyl]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

Related Compounds

2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonitrile
CID 30690579
2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 136588824
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile (CID 79110256) is 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile is CNC1CCC(Nc2ncccc2C#N)CC1.
What is the InChIKey of 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile?
The InChIKey is CFRSHALTJUJSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-15-11-4-6-12(7-5-11)17-13-10(9-14)3-2-8-16-13/h2-3,8,11-12,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile?
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-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 2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79110256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).