N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

C25H35N7O2 — CID 122336906

About N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122336906) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
• PubChem CID: 122336906
• Molecular Formula: C25H35N7O2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.29
• IUPAC Name: N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
• SMILES: Cc1ccccc1NC(=O)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1
• InChI: InChI=1S/C25H35N7O2/c1-20-5-2-3-7-22(20)26-25(33)32-16-14-31(15-17-32)24-9-8-23(27-28-24)30-12-10-29(11-13-30)19-21-6-4-18-34-21/h2-3,5,7-9,21H,4,6,10-19H2,1H3,(H,26,33)
• InChIKey: OCYCNGNNQGLOKT-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 77.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The IUPAC name of N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (CID 122336906) is N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1.

What is the InChIKey of N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The InChIKey is OCYCNGNNQGLOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-20-5-2-3-7-22(20)26-25(33)32-16-14-31(15-17-32)24-9-8-23(27-28-24)30-12-10-29(11-13-30)19-21-6-4-18-34-21/h2-3,5,7-9,21H,4,6,10-19H2,1H3,(H,26,33).

What are the key properties of N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122336906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).