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

C13H19ClN4 — CID 69426314

IUPAC4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
SMILESCN(CC1CCNCC1)c1ccnc(C#N)c1.Cl
InChIInChI=1S/C13H18N4.ClH/c1-17(10-11-2-5-15-6-3-11)13-4-7-16-12(8-13)9-14;/h4,7-8,11,15H,2-3,5-6,10H2,1H3;1H
InChIKeyLFWUPWCFPXOPHF-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.81
Rot. Bonds3

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

4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride (PubChem CID 69426314) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
PubChem CID69426314
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
SMILESCN(CC1CCNCC1)c1ccnc(C#N)c1.Cl
InChIInChI=1S/C13H18N4.ClH/c1-17(10-11-2-5-15-6-3-11)13-4-7-16-12(8-13)9-14;/h4,7-8,11,15H,2-3,5-6,10H2,1H3;1H
InChIKeyLFWUPWCFPXOPHF-UHFFFAOYSA-N
XLogP1.81
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride (CID 69426314) is 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride is CN(CC1CCNCC1)c1ccnc(C#N)c1.Cl.
What is the InChIKey of 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride?
The InChIKey is LFWUPWCFPXOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.ClH/c1-17(10-11-2-5-15-6-3-11)13-4-7-16-12(8-13)9-14;/h4,7-8,11,15H,2-3,5-6,10H2,1H3;1H.
What are the key properties of 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride?
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride has a molecular weight of 266.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 69426314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).