4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

C25H34N6O2 — CID 122335467

About 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 122335467) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
• PubChem CID: 122335467
• Molecular Formula: C25H34N6O2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.27
• IUPAC Name: 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
• SMILES: CCN(CC)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)nn1
• InChI: InChI=1S/C25H34N6O2/c1-5-28(6-2)22-9-10-23(27-26-22)29-11-13-30(14-12-29)25(33)20-16-24(32)31(17-20)21-8-7-18(3)19(4)15-21/h7-10,15,20H,5-6,11-14,16-17H2,1-4H3
• InChIKey: IERGOYYSOSZJFO-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 72.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?

The IUPAC name of 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 122335467) is 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

What is the SMILES notation for 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?

The canonical SMILES for 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is CCN(CC)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)nn1.

What is the InChIKey of 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?

The InChIKey is IERGOYYSOSZJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-5-28(6-2)22-9-10-23(27-26-22)29-11-13-30(14-12-29)25(33)20-16-24(32)31(17-20)21-8-7-18(3)19(4)15-21/h7-10,15,20H,5-6,11-14,16-17H2,1-4H3.

What are the key properties of 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?

4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 450.59 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122335467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).