4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H24N4 — CID 81060937

IUPAC4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCC(CNc2cc(C)nc(C)c2C#N)CC1
InChIInChI=1S/C16H24N4/c1-4-20-7-5-14(6-8-20)11-18-16-9-12(2)19-13(3)15(16)10-17/h9,14H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyOQNJUESZZMFPEG-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.71
Rot. Bonds4

About 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060937) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060937
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCC(CNc2cc(C)nc(C)c2C#N)CC1
InChIInChI=1S/C16H24N4/c1-4-20-7-5-14(6-8-20)11-18-16-9-12(2)19-13(3)15(16)10-17/h9,14H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyOQNJUESZZMFPEG-UHFFFAOYSA-N
XLogP2.71
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 81036499
4-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396909
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
CID 81061136
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
4-chloro-2-[(1-ethylpiperidin-4-yl)methylamino]benzonitrile
CID 63082092
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 103823147
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81060937) is 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is CCN1CCC(CNc2cc(C)nc(C)c2C#N)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OQNJUESZZMFPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-20-7-5-14(6-8-20)11-18-16-9-12(2)19-13(3)15(16)10-17/h9,14H,4-8,11H2,1-3H3,(H,18,19).
What are the key properties of 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).