1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C26H25N3O6 — CID 46448242

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46448242) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 46448242
• Molecular Formula: C26H25N3O6
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.17
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OCc1cccnc1
• InChI: InChI=1S/C26H25N3O6/c1-32-21-6-4-19(12-23(21)35-16-17-3-2-8-27-14-17)28-26(31)18-11-25(30)29(15-18)20-5-7-22-24(13-20)34-10-9-33-22/h2-8,12-14,18H,9-11,15-16H2,1H3,(H,28,31)
• InChIKey: LMLJEAQBAVHATH-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 99.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46448242) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OCc1cccnc1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is LMLJEAQBAVHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-32-21-6-4-19(12-23(21)35-16-17-3-2-8-27-14-17)28-26(31)18-11-25(30)29(15-18)20-5-7-22-24(13-20)34-10-9-33-22/h2-8,12-14,18H,9-11,15-16H2,1H3,(H,28,31).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46448242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).