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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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).