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

C20H17NO5 — CID 44545014

IUPAC4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C20H17NO5/c1-23-16-5-4-13(9-18(16)24-2)15-7-14(10-20(22)21-15)12-3-6-17-19(8-12)26-11-25-17/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyNUFPYHNPXRWMDH-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.45
Rot. Bonds4

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

4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 44545014) 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-(3,4-dimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one
PubChem CID44545014
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C20H17NO5/c1-23-16-5-4-13(9-18(16)24-2)15-7-14(10-20(22)21-15)12-3-6-17-19(8-12)26-11-25-17/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyNUFPYHNPXRWMDH-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-(3,4-dimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one (CID 44545014) is 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)cc1OC.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is NUFPYHNPXRWMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-23-16-5-4-13(9-18(16)24-2)15-7-14(10-20(22)21-15)12-3-6-17-19(8-12)26-11-25-17/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one?
4-(1,3-benzodioxol-5-yl)-6-(3,4-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-(3,4-dimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 44545014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).