4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile

C20H21N3O2 — CID 10449619

IUPAC4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)nc(OCC(=O)N2CCCCC2)c1C#N
InChIInChI=1S/C20H21N3O2/c1-15-12-18(16-8-4-2-5-9-16)22-20(17(15)13-21)25-14-19(24)23-10-6-3-7-11-23/h2,4-5,8-9,12H,3,6-7,10-11,14H2,1H3
InChIKeyOVPGSGBNOPSORL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds4

About 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile

4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile (PubChem CID 10449619) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
PubChem CID10449619
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)nc(OCC(=O)N2CCCCC2)c1C#N
InChIInChI=1S/C20H21N3O2/c1-15-12-18(16-8-4-2-5-9-16)22-20(17(15)13-21)25-14-19(24)23-10-6-3-7-11-23/h2,4-5,8-9,12H,3,6-7,10-11,14H2,1H3
InChIKeyOVPGSGBNOPSORL-UHFFFAOYSA-N
XLogP3.32
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile (CID 10449619) is 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile is Cc1cc(-c2ccccc2)nc(OCC(=O)N2CCCCC2)c1C#N.
What is the InChIKey of 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile?
The InChIKey is OVPGSGBNOPSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-12-18(16-8-4-2-5-9-16)22-20(17(15)13-21)25-14-19(24)23-10-6-3-7-11-23/h2,4-5,8-9,12H,3,6-7,10-11,14H2,1H3.
What are the key properties of 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile?
4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 10449619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).