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

C23H20N4O3 — CID 11069405

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3
InChIKeyMHVBIDYSCZQVSY-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.05
Rot. Bonds5

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

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one (PubChem CID 11069405) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
PubChem CID11069405
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3
InChIKeyMHVBIDYSCZQVSY-UHFFFAOYSA-N
XLogP4.05
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one (CID 11069405) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one is COc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
The InChIKey is MHVBIDYSCZQVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one has a molecular weight of 400.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 11069405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).