5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide

C23H27N3O3 — CID 141224264

About 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide

5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide (PubChem CID 141224264) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide
• PubChem CID: 141224264
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide
• SMILES: COc1ccc2c(c1)CC(C(N)=O)(C1C3CCN(CC3)C1Cc1cccnc1)O2
• InChI: InChI=1S/C23H27N3O3/c1-28-18-4-5-20-17(12-18)13-23(29-20,22(24)27)21-16-6-9-26(10-7-16)19(21)11-15-3-2-8-25-14-15/h2-5,8,12,14,16,19,21H,6-7,9-11,13H2,1H3,(H2,24,27)
• InChIKey: ATENYOVNCGEHJR-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 77.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide?

The IUPAC name of 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide (CID 141224264) is 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide is COc1ccc2c(c1)CC(C(N)=O)(C1C3CCN(CC3)C1Cc1cccnc1)O2.

What is the InChIKey of 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide?

The InChIKey is ATENYOVNCGEHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-18-4-5-20-17(12-18)13-23(29-20,22(24)27)21-16-6-9-26(10-7-16)19(21)11-15-3-2-8-25-14-15/h2-5,8,12,14,16,19,21H,6-7,9-11,13H2,1H3,(H2,24,27).

What are the key properties of 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide?

5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 141224264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).