3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

C15H20N4 — CID 55128030

IUPAC3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCCC1C1CCCN1
InChIInChI=1S/C15H20N4/c16-10-14-12(4-1-7-18-14)11-19-9-3-6-15(19)13-5-2-8-17-13/h1,4,7,13,15,17H,2-3,5-6,8-9,11H2
InChIKeyFCNIIUVCQGGMTN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds3

About 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 55128030) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID55128030
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCCC1C1CCCN1
InChIInChI=1S/C15H20N4/c16-10-14-12(4-1-7-18-14)11-19-9-3-6-15(19)13-5-2-8-17-13/h1,4,7,13,15,17H,2-3,5-6,8-9,11H2
InChIKeyFCNIIUVCQGGMTN-UHFFFAOYSA-N
XLogP1.67
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (CID 55128030) is 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN1CCCC1C1CCCN1.
What is the InChIKey of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is FCNIIUVCQGGMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-14-12(4-1-7-18-14)11-19-9-3-6-15(19)13-5-2-8-17-13/h1,4,7,13,15,17H,2-3,5-6,8-9,11H2.
What are the key properties of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55128030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).