5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one

C23H20N2O2S — CID 11784052

IUPAC5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3
InChIKeyPOHVBRMPZRVHQW-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.16
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one

5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one (PubChem CID 11784052) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
PubChem CID11784052
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3
InChIKeyPOHVBRMPZRVHQW-UHFFFAOYSA-N
XLogP5.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one (CID 11784052) is 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one is COc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one?
The InChIKey is POHVBRMPZRVHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one?
5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one has a molecular weight of 388.49 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 11784052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).