6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide

C23H26N8O2 — CID 56511736

About 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide (PubChem CID 56511736) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide
• PubChem CID: 56511736
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide
• SMILES: CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)nn1
• InChI: InChI=1S/C23H26N8O2/c1-29(2)20-9-8-19(27-28-20)22(33)26-18-6-4-17(5-7-18)16-21(32)30-12-14-31(15-13-30)23-24-10-3-11-25-23/h3-11H,12-16H2,1-2H3,(H,26,33)
• InChIKey: SNIHERMUUKRNKG-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 107.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide?

The IUPAC name of 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide (CID 56511736) is 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)nn1.

What is the InChIKey of 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide?

The InChIKey is SNIHERMUUKRNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-29(2)20-9-8-19(27-28-20)22(33)26-18-6-4-17(5-7-18)16-21(32)30-12-14-31(15-13-30)23-24-10-3-11-25-23/h3-11H,12-16H2,1-2H3,(H,26,33).

What are the key properties of 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide?

6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56511736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).