4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile

C13H18N4 — CID 63880611

IUPAC4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)C1CCCNC1
InChIInChI=1S/C13H18N4/c1-17(13-3-2-5-15-9-13)10-11-4-6-16-12(7-11)8-14/h4,6-7,13,15H,2-3,5,9-10H2,1H3
InChIKeyYBEPNLMSNMLLJC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.14
Rot. Bonds3

About 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile

4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63880611) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63880611
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)C1CCCNC1
InChIInChI=1S/C13H18N4/c1-17(13-3-2-5-15-9-13)10-11-4-6-16-12(7-11)8-14/h4,6-7,13,15H,2-3,5,9-10H2,1H3
InChIKeyYBEPNLMSNMLLJC-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546
4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 115384913
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 79713800
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 63644109
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63881430

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile (CID 63880611) is 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile is CN(Cc1ccnc(C#N)c1)C1CCCNC1.
What is the InChIKey of 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is YBEPNLMSNMLLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(13-3-2-5-15-9-13)10-11-4-6-16-12(7-11)8-14/h4,6-7,13,15H,2-3,5,9-10H2,1H3.
What are the key properties of 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).