6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione

C21H19N3O6 — CID 134716989

IUPAC6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cccc(-c2nc(CCn3ccc4oc(=O)cc(C)c4c3=O)no2)c1OC
InChIInChI=1S/C21H19N3O6/c1-12-11-17(25)29-14-7-9-24(21(26)18(12)14)10-8-16-22-20(30-23-16)13-5-4-6-15(27-2)19(13)28-3/h4-7,9,11H,8,10H2,1-3H3
InChIKeyVBMZAKBQQVRFDA-UHFFFAOYSA-N
MW409.40 g/mol
LogP2.57
Rot. Bonds6

About 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione

6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 134716989) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID134716989
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Name6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cccc(-c2nc(CCn3ccc4oc(=O)cc(C)c4c3=O)no2)c1OC
InChIInChI=1S/C21H19N3O6/c1-12-11-17(25)29-14-7-9-24(21(26)18(12)14)10-8-16-22-20(30-23-16)13-5-4-6-15(27-2)19(13)28-3/h4-7,9,11H,8,10H2,1-3H3
InChIKeyVBMZAKBQQVRFDA-UHFFFAOYSA-N
XLogP2.57
TPSA109.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione (CID 134716989) is 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione is COc1cccc(-c2nc(CCn3ccc4oc(=O)cc(C)c4c3=O)no2)c1OC.
What is the InChIKey of 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is VBMZAKBQQVRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-12-11-17(25)29-14-7-9-24(21(26)18(12)14)10-8-16-22-20(30-23-16)13-5-4-6-15(27-2)19(13)28-3/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione?
6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 409.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 134716989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).