2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide

C21H24FN3O2 — CID 119811076

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide (PubChem CID 119811076) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
• PubChem CID: 119811076
• Molecular Formula: C21H24FN3O2
• Molecular Weight: 369.44 g/mol
• Exact Mass: 369.19
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
• SMILES: O=C(CC1CC2CCC(C1)N2)Nc1cccn(Cc2ccc(F)cc2)c1=O
• InChI: InChI=1S/C21H24FN3O2/c22-16-5-3-14(4-6-16)13-25-9-1-2-19(21(25)27)24-20(26)12-15-10-17-7-8-18(11-15)23-17/h1-6,9,15,17-18,23H,7-8,10-13H2,(H,24,26)
• InChIKey: ZWJDIVGAJPFSMI-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 63.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.44
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide (CID 119811076) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1cccn(Cc2ccc(F)cc2)c1=O.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?

The InChIKey is ZWJDIVGAJPFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-16-5-3-14(4-6-16)13-25-9-1-2-19(21(25)27)24-20(26)12-15-10-17-7-8-18(11-15)23-17/h1-6,9,15,17-18,23H,7-8,10-13H2,(H,24,26).

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 119811076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).