N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide

C26H23FN4O2 — CID 46069991

About N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 46069991) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
• PubChem CID: 46069991
• Molecular Formula: C26H23FN4O2
• Molecular Weight: 442.49 g/mol
• Exact Mass: 442.18
• IUPAC Name: N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
• SMILES: N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)Cc3ccc(F)cc3)c2)C1=O
• InChI: InChI=1S/C26H23FN4O2/c27-22-11-9-19(10-12-22)15-25(32)29-23-7-3-8-24(16-23)31-14-4-13-30(26(31)33)18-21-6-2-1-5-20(21)17-28/h1-3,5-12,16H,4,13-15,18H2,(H,29,32)
• InChIKey: UUPNYXOISWXEJV-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 76.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?

The IUPAC name of N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 46069991) is N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?

The canonical SMILES for N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide is N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)Cc3ccc(F)cc3)c2)C1=O.

What is the InChIKey of N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?

The InChIKey is UUPNYXOISWXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-22-11-9-19(10-12-22)15-25(32)29-23-7-3-8-24(16-23)31-14-4-13-30(26(31)33)18-21-6-2-1-5-20(21)17-28/h1-3,5-12,16H,4,13-15,18H2,(H,29,32).

What are the key properties of N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?

N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 442.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46069991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).