2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile

C15H20N4 — CID 128843965

IUPAC2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC(C3CCNC3)C2)c1
InChIInChI=1S/C15H20N4/c16-9-12-3-6-18-15(8-12)19-7-1-2-14(11-19)13-4-5-17-10-13/h3,6,8,13-14,17H,1-2,4-5,7,10-11H2
InChIKeyLGAUTBMOJAZQQV-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.78
Rot. Bonds2

About 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile

2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 128843965) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID128843965
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC(C3CCNC3)C2)c1
InChIInChI=1S/C15H20N4/c16-9-12-3-6-18-15(8-12)19-7-1-2-14(11-19)13-4-5-17-10-13/h3,6,8,13-14,17H,1-2,4-5,7,10-11H2
InChIKeyLGAUTBMOJAZQQV-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 124850659
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid
CID 97055411
2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
CID 35324791
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
CID 151111745
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
methyl 1-(4-cyano-2-pyridinyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 175877412
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile (CID 128843965) is 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCCC(C3CCNC3)C2)c1.
What is the InChIKey of 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is LGAUTBMOJAZQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-9-12-3-6-18-15(8-12)19-7-1-2-14(11-19)13-4-5-17-10-13/h3,6,8,13-14,17H,1-2,4-5,7,10-11H2.
What are the key properties of 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile?
2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 128843965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).