N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

C23H28FN3O3 — CID 92634467

About N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 92634467) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
• PubChem CID: 92634467
• Molecular Formula: C23H28FN3O3
• Molecular Weight: 413.49 g/mol
• Exact Mass: 413.21
• IUPAC Name: N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
• SMILES: CC(C)(CNC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1F
• InChI: InChI=1S/C23H28FN3O3/c1-23(2,18-8-4-5-9-19(18)24)16-25-22(30)17-10-11-20(28)27(14-17)15-21(29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,25,30)
• InChIKey: PPFCALDQFYRBJV-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.49
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?

The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 92634467) is N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is CC(C)(CNC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1F.

What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?

The InChIKey is PPFCALDQFYRBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-23(2,18-8-4-5-9-19(18)24)16-25-22(30)17-10-11-20(28)27(14-17)15-21(29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,25,30).

What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?

N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92634467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).