6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile

C16H24N4 — CID 60502185

IUPAC6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile
SMILESCN(C)C(CNc1ccc(C#N)cn1)C1CCCCC1
InChIInChI=1S/C16H24N4/c1-20(2)15(14-6-4-3-5-7-14)12-19-16-9-8-13(10-17)11-18-16/h8-9,11,14-15H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyAEGJCXBTHFROLF-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.88
Rot. Bonds5

About 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile

6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 60502185) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile
PubChem CID60502185
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile
SMILESCN(C)C(CNc1ccc(C#N)cn1)C1CCCCC1
InChIInChI=1S/C16H24N4/c1-20(2)15(14-6-4-3-5-7-14)12-19-16-9-8-13(10-17)11-18-16/h8-9,11,14-15H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyAEGJCXBTHFROLF-UHFFFAOYSA-N
XLogP2.88
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113222141
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CID 95623512
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282
6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94819702
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
CID 133289535
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
CID 24699115
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
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6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859

Frequently Asked Questions

What is the IUPAC name of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile (CID 60502185) is 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile is CN(C)C(CNc1ccc(C#N)cn1)C1CCCCC1.
What is the InChIKey of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is AEGJCXBTHFROLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-20(2)15(14-6-4-3-5-7-14)12-19-16-9-8-13(10-17)11-18-16/h8-9,11,14-15H,3-7,12H2,1-2H3,(H,18,19).
What are the key properties of 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile?
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 60502185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).