N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C25H36N6O — CID 50772057

About N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50772057) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
• PubChem CID: 50772057
• Molecular Formula: C25H36N6O
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.30
• IUPAC Name: N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
• SMILES: CN(CCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)Cc1ccccc1
• InChI: InChI=1S/C25H36N6O/c1-29(20-21-8-4-2-5-9-21)19-14-26-25(32)22-12-17-31(18-13-22)24-11-10-23(27-28-24)30-15-6-3-7-16-30/h2,4-5,8-11,22H,3,6-7,12-20H2,1H3,(H,26,32)
• InChIKey: PRWPWEBCKRQZCD-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 64.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50772057) is N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CN(CCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)Cc1ccccc1.

What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The InChIKey is PRWPWEBCKRQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-29(20-21-8-4-2-5-9-21)19-14-26-25(32)22-12-17-31(18-13-22)24-11-10-23(27-28-24)30-15-6-3-7-16-30/h2,4-5,8-11,22H,3,6-7,12-20H2,1H3,(H,26,32).

What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50772057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).