4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one

C21H21NO5 — CID 155520529

IUPAC4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)[nH]c(=O)c2)c(OC)c1
InChIInChI=1S/C21H21NO5/c1-24-14-5-7-16(19(11-14)26-3)13-9-18(22-21(23)10-13)17-8-6-15(25-2)12-20(17)27-4/h5-12H,1-4H3,(H,22,23)
InChIKeyAABVQDHPJSLEBD-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.74
Rot. Bonds6

About 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one

4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 155520529) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one
PubChem CID155520529
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)[nH]c(=O)c2)c(OC)c1
InChIInChI=1S/C21H21NO5/c1-24-14-5-7-16(19(11-14)26-3)13-9-18(22-21(23)10-13)17-8-6-15(25-2)12-20(17)27-4/h5-12H,1-4H3,(H,22,23)
InChIKeyAABVQDHPJSLEBD-UHFFFAOYSA-N
XLogP3.74
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one (CID 155520529) is 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2cc(-c3ccc(OC)cc3OC)[nH]c(=O)c2)c(OC)c1.
What is the InChIKey of 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is AABVQDHPJSLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-14-5-7-16(19(11-14)26-3)13-9-18(22-21(23)10-13)17-8-6-15(25-2)12-20(17)27-4/h5-12H,1-4H3,(H,22,23).
What are the key properties of 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 367.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2,4-dimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 155520529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).