3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile

C16H17N5O — CID 84600658

IUPAC3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCc1cccc(OC2CCN(c3nccnc3C#N)CC2)n1
InChIInChI=1S/C16H17N5O/c1-12-3-2-4-15(20-12)22-13-5-9-21(10-6-13)16-14(11-17)18-7-8-19-16/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKeyFGVVUJGZAVUTSN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.10
Rot. Bonds3

About 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 84600658) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID84600658
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCc1cccc(OC2CCN(c3nccnc3C#N)CC2)n1
InChIInChI=1S/C16H17N5O/c1-12-3-2-4-15(20-12)22-13-5-9-21(10-6-13)16-14(11-17)18-7-8-19-16/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKeyFGVVUJGZAVUTSN-UHFFFAOYSA-N
XLogP2.10
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile (CID 84600658) is 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile is Cc1cccc(OC2CCN(c3nccnc3C#N)CC2)n1.
What is the InChIKey of 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FGVVUJGZAVUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-3-2-4-15(20-12)22-13-5-9-21(10-6-13)16-14(11-17)18-7-8-19-16/h2-4,7-8,13H,5-6,9-10H2,1H3.
What are the key properties of 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 84600658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).