4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C16H22N4 — CID 79713800

IUPAC4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(CC2CCNCC2)C2CC2)ccn1
InChIInChI=1S/C16H22N4/c17-10-15-9-14(5-8-19-15)12-20(16-1-2-16)11-13-3-6-18-7-4-13/h5,8-9,13,16,18H,1-4,6-7,11-12H2
InChIKeyPTYHCFIZWXIBCZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.92
Rot. Bonds5

About 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile

4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 79713800) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID79713800
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(CC2CCNCC2)C2CC2)ccn1
InChIInChI=1S/C16H22N4/c17-10-15-9-14(5-8-19-15)12-20(16-1-2-16)11-13-3-6-18-7-4-13/h5,8-9,13,16,18H,1-4,6-7,11-12H2
InChIKeyPTYHCFIZWXIBCZ-UHFFFAOYSA-N
XLogP1.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]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

Related Compounds

4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63881430
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611
4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 79719702
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 79713800) is 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CN(CC2CCNCC2)C2CC2)ccn1.
What is the InChIKey of 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is PTYHCFIZWXIBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-10-15-9-14(5-8-19-15)12-20(16-1-2-16)11-13-3-6-18-7-4-13/h5,8-9,13,16,18H,1-4,6-7,11-12H2.
What are the key properties of 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 79713800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).