N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

C18H27N3O2 — CID 71880457

About N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71880457) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 71880457
• Molecular Formula: C18H27N3O2
• Molecular Weight: 317.43 g/mol
• Exact Mass: 317.21
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)N2CC3CCC2C3)N2CCCC2)o1
• InChI: InChI=1S/C18H27N3O2/c1-13-4-7-17(23-13)16(20-8-2-3-9-20)11-19-18(22)21-12-14-5-6-15(21)10-14/h4,7,14-16H,2-3,5-6,8-12H2,1H3,(H,19,22)
• InChIKey: MMORBWUVDUACID-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.43
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 71880457) is N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(C(CNC(=O)N2CC3CCC2C3)N2CCCC2)o1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?

The InChIKey is MMORBWUVDUACID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-4-7-17(23-13)16(20-8-2-3-9-20)11-19-18(22)21-12-14-5-6-15(21)10-14/h4,7,14-16H,2-3,5-6,8-12H2,1H3,(H,19,22).

What are the key properties of N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?

N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71880457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).