4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

C16H19N5O — CID 122137130

IUPAC4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC(c3nc(C)no3)C2)n1
InChIInChI=1S/C16H19N5O/c1-10-7-11(2)18-15(14(10)8-17)21-6-4-5-13(9-21)16-19-12(3)20-22-16/h7,13H,4-6,9H2,1-3H3
InChIKeyCKGIFQSJIUNTOF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds2

About 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 122137130) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID122137130
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC(c3nc(C)no3)C2)n1
InChIInChI=1S/C16H19N5O/c1-10-7-11(2)18-15(14(10)8-17)21-6-4-5-13(9-21)16-19-12(3)20-22-16/h7,13H,4-6,9H2,1-3H3
InChIKeyCKGIFQSJIUNTOF-UHFFFAOYSA-N
XLogP2.65
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 122137130) is 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCCC(c3nc(C)no3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is CKGIFQSJIUNTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-7-11(2)18-15(14(10)8-17)21-6-4-5-13(9-21)16-19-12(3)20-22-16/h7,13H,4-6,9H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 122137130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).