2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone

C26H34N6O — CID 122347159

About 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone

2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122347159) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
• PubChem CID: 122347159
• Molecular Formula: C26H34N6O
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.28
• IUPAC Name: 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)nn2)n1
• InChI: InChI=1S/C26H34N6O/c1-18-3-2-4-22(27-18)28-23-5-6-24(30-29-23)31-7-9-32(10-8-31)25(33)17-26-14-19-11-20(15-26)13-21(12-19)16-26/h2-6,19-21H,7-17H2,1H3,(H,27,28,29)
• InChIKey: VBFPDISBMZNCFN-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122347159) is 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)nn2)n1.

What is the InChIKey of 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone?

The InChIKey is VBFPDISBMZNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-18-3-2-4-22(27-18)28-23-5-6-24(30-29-23)31-7-9-32(10-8-31)25(33)17-26-14-19-11-20(15-26)13-21(12-19)16-26/h2-6,19-21H,7-17H2,1H3,(H,27,28,29).

What are the key properties of 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone?

2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 446.60 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122347159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).