6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile

C15H20N4 — CID 64587185

IUPAC6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C15H20N4/c16-10-13-5-1-7-15(18-13)19-9-3-4-12(11-19)14-6-2-8-17-14/h1,5,7,12,14,17H,2-4,6,8-9,11H2
InChIKeyWJVZNHPDIQGSBJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds2

About 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile

6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 64587185) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID64587185
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C15H20N4/c16-10-13-5-1-7-15(18-13)19-9-3-4-12(11-19)14-6-2-8-17-14/h1,5,7,12,14,17H,2-4,6,8-9,11H2
InChIKeyWJVZNHPDIQGSBJ-UHFFFAOYSA-N
XLogP1.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile (CID 64587185) is 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCCC(C3CCCN3)C2)n1.
What is the InChIKey of 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is WJVZNHPDIQGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-13-5-1-7-15(18-13)19-9-3-4-12(11-19)14-6-2-8-17-14/h1,5,7,12,14,17H,2-4,6,8-9,11H2.
What are the key properties of 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile?
6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64587185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).