2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide

C23H27N3O2 — CID 141224270

About 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide

2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide (PubChem CID 141224270) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide
• PubChem CID: 141224270
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide
• SMILES: CC1(C2C3CCN(CC3)C2Cc2cccnc2)Cc2c(cccc2C(N)=O)O1
• InChI: InChI=1S/C23H27N3O2/c1-23(13-18-17(22(24)27)5-2-6-20(18)28-23)21-16-7-10-26(11-8-16)19(21)12-15-4-3-9-25-14-15/h2-6,9,14,16,19,21H,7-8,10-13H2,1H3,(H2,24,27)
• InChIKey: SUAFUAIAMZIJHB-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 68.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide?

The IUPAC name of 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide (CID 141224270) is 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide.

What is the SMILES notation for 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide?

The canonical SMILES for 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide is CC1(C2C3CCN(CC3)C2Cc2cccnc2)Cc2c(cccc2C(N)=O)O1.

What is the InChIKey of 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide?

The InChIKey is SUAFUAIAMZIJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(13-18-17(22(24)27)5-2-6-20(18)28-23)21-16-7-10-26(11-8-16)19(21)12-15-4-3-9-25-14-15/h2-6,9,14,16,19,21H,7-8,10-13H2,1H3,(H2,24,27).

What are the key properties of 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide?

2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-3H-1-benzofuran-4-carboxamide is sourced from PubChem (CID 141224270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).