2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile

C13H18N4 — CID 114768292

IUPAC2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCC(N)CC2)n1
InChIInChI=1S/C13H18N4/c1-9-6-10(8-14)7-13(16-9)17-12-4-2-11(15)3-5-12/h6-7,11-12H,2-5,15H2,1H3,(H,16,17)
InChIKeyPGSUZMLPCSWWMD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.94
Rot. Bonds2

About 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile

2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114768292) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114768292
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCC(N)CC2)n1
InChIInChI=1S/C13H18N4/c1-9-6-10(8-14)7-13(16-9)17-12-4-2-11(15)3-5-12/h6-7,11-12H,2-5,15H2,1H3,(H,16,17)
InChIKeyPGSUZMLPCSWWMD-UHFFFAOYSA-N
XLogP1.94
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 114770152
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
CID 114766475
2-methyl-6-[(2-methylcyclopropyl)amino]pyridine-4-carbonitrile
CID 114766194
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770
2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
CID 166248410
4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112867629
2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
CID 114123234
3-[(4-aminocyclohexyl)amino]-5-fluorobenzonitrile
CID 102819134
3-[(4-aminocyclohexyl)amino]-5-bromobenzonitrile
CID 102819135
2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770148

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile (CID 114768292) is 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC2CCC(N)CC2)n1.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is PGSUZMLPCSWWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-6-10(8-14)7-13(16-9)17-12-4-2-11(15)3-5-12/h6-7,11-12H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile?
2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114768292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).