2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile

C12H15N3O — CID 115030168

IUPAC2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile
SMILESCOc1ncc(C2CCCCN2)cc1C#N
InChIInChI=1S/C12H15N3O/c1-16-12-9(7-13)6-10(8-15-12)11-4-2-3-5-14-11/h6,8,11,14H,2-5H2,1H3
InChIKeyJYKFUJNUBXHXKH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.78
Rot. Bonds2

About 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile

2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile (PubChem CID 115030168) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile
PubChem CID115030168
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile
SMILESCOc1ncc(C2CCCCN2)cc1C#N
InChIInChI=1S/C12H15N3O/c1-16-12-9(7-13)6-10(8-15-12)11-4-2-3-5-14-11/h6,8,11,14H,2-5H2,1H3
InChIKeyJYKFUJNUBXHXKH-UHFFFAOYSA-N
XLogP1.78
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-piperidin-2-yl-3-pyridinyl)methanamine
CID 115032836
2,3-dimethoxy-5-piperidin-2-ylbenzonitrile
CID 117368230
2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
CID 115041390
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
CID 55263705
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
5,6-dimethoxy-4-piperidin-2-ylpyridin-3-ol
CID 84700693
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
2-fluoro-3-methyl-5-[(2S)-piperidin-2-yl]pyridine
CID 55276215
2-methyl-4-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 66518349
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile (CID 115030168) is 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile is COc1ncc(C2CCCCN2)cc1C#N.
What is the InChIKey of 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile?
The InChIKey is JYKFUJNUBXHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12-9(7-13)6-10(8-15-12)11-4-2-3-5-14-11/h6,8,11,14H,2-5H2,1H3.
What are the key properties of 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile?
2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 115030168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).