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

C22H19N3O2S — CID 11101191

IUPAC5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2cccnc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3
InChIKeyHTNYBQDFFUZWCY-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.55
Rot. Bonds4

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

5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one (PubChem CID 11101191) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
PubChem CID11101191
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2cccnc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3
InChIKeyHTNYBQDFFUZWCY-UHFFFAOYSA-N
XLogP4.55
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one (CID 11101191) is 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one is COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2cccnc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one?
The InChIKey is HTNYBQDFFUZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one?
5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one has a molecular weight of 389.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 11101191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).