2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C15H21N3 — CID 55061903

IUPAC2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC(C)CC2C)n1
InChIInChI=1S/C15H21N3/c1-10-5-6-18(13(4)7-10)15-14(9-16)11(2)8-12(3)17-15/h8,10,13H,5-7H2,1-4H3
InChIKeyDMLNMLKPAGDJPK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.19
Rot. Bonds1

About 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 55061903) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID55061903
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC(C)CC2C)n1
InChIInChI=1S/C15H21N3/c1-10-5-6-18(13(4)7-10)15-14(9-16)11(2)8-12(3)17-15/h8,10,13H,5-7H2,1-4H3
InChIKeyDMLNMLKPAGDJPK-UHFFFAOYSA-N
XLogP3.19
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
4,6-dimethyl-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 55217676
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 154883013
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
2-(2,4-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62330008
[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636143
2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
4,6-dimethyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carbonitrile
CID 103195610
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 113378624
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 55061903) is 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC(C)CC2C)n1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DMLNMLKPAGDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-5-6-18(13(4)7-10)15-14(9-16)11(2)8-12(3)17-15/h8,10,13H,5-7H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 55061903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).