1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one

C26H23NO3 — CID 14303546

IUPAC1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
SMILESCOc1cc(OC)cc(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccccc2)c1
InChIInChI=1S/C26H23NO3/c1-18-25(28)17-24(19-10-6-4-7-11-19)27(26(18)20-12-8-5-9-13-20)21-14-22(29-2)16-23(15-21)30-3/h4-17H,1-3H3
InChIKeyUKHZLGMGANTLBZ-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.50
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one

1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one (PubChem CID 14303546) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
PubChem CID14303546
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
SMILESCOc1cc(OC)cc(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccccc2)c1
InChIInChI=1S/C26H23NO3/c1-18-25(28)17-24(19-10-6-4-7-11-19)27(26(18)20-12-8-5-9-13-20)21-14-22(29-2)16-23(15-21)30-3/h4-17H,1-3H3
InChIKeyUKHZLGMGANTLBZ-UHFFFAOYSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one (CID 14303546) is 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one is COc1cc(OC)cc(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
The InChIKey is UKHZLGMGANTLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-25(28)17-24(19-10-6-4-7-11-19)27(26(18)20-12-8-5-9-13-20)21-14-22(29-2)16-23(15-21)30-3/h4-17H,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one has a molecular weight of 397.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one is sourced from PubChem (CID 14303546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).