2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile

C17H19N5O — CID 163350288

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cnc(C)c(OC2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C17H19N5O/c1-12-11-20-13(2)17(21-12)23-15-5-8-22(9-6-15)16-14(10-18)4-3-7-19-16/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyVTCDBNZRLKGINR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds3

About 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile

2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 163350288) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
PubChem CID163350288
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cnc(C)c(OC2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C17H19N5O/c1-12-11-20-13(2)17(21-12)23-15-5-8-22(9-6-15)16-14(10-18)4-3-7-19-16/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyVTCDBNZRLKGINR-UHFFFAOYSA-N
XLogP2.41
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 163349442
2-[4-(4-formyl-2,6-dimethoxyphenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 71514929
2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
CID 117096423
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351280
2-[4-[(5-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 135087837
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 163348981
4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163350566
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile (CID 163350288) is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile is Cc1cnc(C)c(OC2CCN(c3ncccc3C#N)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VTCDBNZRLKGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-11-20-13(2)17(21-12)23-15-5-8-22(9-6-15)16-14(10-18)4-3-7-19-16/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile?
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163350288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).