2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H19F3N4O3 — CID 55875296

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 55875296) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• PubChem CID: 55875296
• Molecular Formula: C20H19F3N4O3
• Molecular Weight: 420.39 g/mol
• Exact Mass: 420.14
• IUPAC Name: 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• SMILES: O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccccc1N1CCCC1=O
• InChI: InChI=1S/C20H19F3N4O3/c21-20(22,23)13-10-15(12-7-8-12)25-27(19(13)30)11-17(28)24-14-4-1-2-5-16(14)26-9-3-6-18(26)29/h1-2,4-5,10,12H,3,6-9,11H2,(H,24,28)
• InChIKey: AGZFMLFBLRVSSM-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.39
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 55875296) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1ccccc1N1CCCC1=O.

What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The InChIKey is AGZFMLFBLRVSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c21-20(22,23)13-10-15(12-7-8-12)25-27(19(13)30)11-17(28)24-14-4-1-2-5-16(14)26-9-3-6-18(26)29/h1-2,4-5,10,12H,3,6-9,11H2,(H,24,28).

What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 420.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 55875296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).