6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane

C17H28N4 — CID 156724041

IUPAC6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane
SMILESCC.CCC.N#Cc1ccc(N2CC3CCC2CN3)nc1
InChIInChI=1S/C12H14N4.C3H8.C2H6/c13-5-9-1-4-12(15-6-9)16-8-10-2-3-11(16)7-14-10;1-3-2;1-2/h1,4,6,10-11,14H,2-3,7-8H2;3H2,1-2H3;1-2H3
InChIKeyDKZYCVSSGRUUAB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.34
Rot. Bonds1

About 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane

6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane (PubChem CID 156724041) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane.

Molecular Properties

Compound Name6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane
PubChem CID156724041
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane
SMILESCC.CCC.N#Cc1ccc(N2CC3CCC2CN3)nc1
InChIInChI=1S/C12H14N4.C3H8.C2H6/c13-5-9-1-4-12(15-6-9)16-8-10-2-3-11(16)7-14-10;1-3-2;1-2/h1,4,6,10-11,14H,2-3,7-8H2;3H2,1-2H3;1-2H3
InChIKeyDKZYCVSSGRUUAB-UHFFFAOYSA-N
XLogP3.34
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 64983286
6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile
CID 178182942
6-[5-(3-methoxypropanoyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyridine-3-carbonitrile
CID 170219955
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 102780806
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 133435807
4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile
CID 174557016
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
CID 63770111
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile
CID 71860442

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane?
The IUPAC name of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane (CID 156724041) is 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane.
What is the SMILES notation for 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane?
The canonical SMILES for 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane is CC.CCC.N#Cc1ccc(N2CC3CCC2CN3)nc1.
What is the InChIKey of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane?
The InChIKey is DKZYCVSSGRUUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.C3H8.C2H6/c13-5-9-1-4-12(15-6-9)16-8-10-2-3-11(16)7-14-10;1-3-2;1-2/h1,4,6,10-11,14H,2-3,7-8H2;3H2,1-2H3;1-2H3.
What are the key properties of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane?
6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane has a molecular weight of 288.44 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane is sourced from PubChem (CID 156724041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).