6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile

C18H20N4O — CID 135584984

IUPAC6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESCNc1nc(-c2ccccc2O)cc(C2CCCNC2)c1C#N
InChIInChI=1S/C18H20N4O/c1-20-18-15(10-19)14(12-5-4-8-21-11-12)9-16(22-18)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,21,23H,4-5,8,11H2,1H3,(H,20,22)
InChIKeyFYJAMEFWBXWHSX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.83
Rot. Bonds3

About 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile

6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135584984) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135584984
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESCNc1nc(-c2ccccc2O)cc(C2CCCNC2)c1C#N
InChIInChI=1S/C18H20N4O/c1-20-18-15(10-19)14(12-5-4-8-21-11-12)9-16(22-18)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,21,23H,4-5,8,11H2,1H3,(H,20,22)
InChIKeyFYJAMEFWBXWHSX-UHFFFAOYSA-N
XLogP2.83
TPSA80.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135584984) is 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile is CNc1nc(-c2ccccc2O)cc(C2CCCNC2)c1C#N.
What is the InChIKey of 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is FYJAMEFWBXWHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-20-18-15(10-19)14(12-5-4-8-21-11-12)9-16(22-18)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,21,23H,4-5,8,11H2,1H3,(H,20,22).
What are the key properties of 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile?
6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-2-(methylamino)-4-piperidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).