1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane

C16H21NO2 — CID 156637776

IUPAC1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
SMILESCC.Cc1c(OCc2ccccc2)ccn(C)c1=O
InChIInChI=1S/C14H15NO2.C2H6/c1-11-13(8-9-15(2)14(11)16)17-10-12-6-4-3-5-7-12;1-2/h3-9H,10H2,1-2H3;1-2H3
InChIKeyZRWDOJLLDRHXEK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.30
Rot. Bonds3

About 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane

1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane (PubChem CID 156637776) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane.

Molecular Properties

Compound Name1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
PubChem CID156637776
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
SMILESCC.Cc1c(OCc2ccccc2)ccn(C)c1=O
InChIInChI=1S/C14H15NO2.C2H6/c1-11-13(8-9-15(2)14(11)16)17-10-12-6-4-3-5-7-12;1-2/h3-9H,10H2,1-2H3;1-2H3
InChIKeyZRWDOJLLDRHXEK-UHFFFAOYSA-N
XLogP3.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane?
The IUPAC name of 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane (CID 156637776) is 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane.
What is the SMILES notation for 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane?
The canonical SMILES for 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane is CC.Cc1c(OCc2ccccc2)ccn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane?
The InChIKey is ZRWDOJLLDRHXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.C2H6/c1-11-13(8-9-15(2)14(11)16)17-10-12-6-4-3-5-7-12;1-2/h3-9H,10H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane?
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane has a molecular weight of 259.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane is sourced from PubChem (CID 156637776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).