4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one

C20H17NO5 — CID 155527790

IUPAC4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)c1
InChIInChI=1S/C20H17NO5/c1-23-14-4-6-17(24-2)15(10-14)16-7-13(9-20(22)21-16)12-3-5-18-19(8-12)26-11-25-18/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyBPRCURAMUUUINS-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.45
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one

4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 155527790) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one
PubChem CID155527790
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)c1
InChIInChI=1S/C20H17NO5/c1-23-14-4-6-17(24-2)15(10-14)16-7-13(9-20(22)21-16)12-3-5-18-19(8-12)26-11-25-18/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyBPRCURAMUUUINS-UHFFFAOYSA-N
XLogP3.45
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one (CID 155527790) is 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one is COc1ccc(OC)c(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is BPRCURAMUUUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-23-14-4-6-17(24-2)15(10-14)16-7-13(9-20(22)21-16)12-3-5-18-19(8-12)26-11-25-18/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one?
4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 351.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 155527790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).