N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

C22H25N7O2 — CID 47001164

About N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 47001164) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
• PubChem CID: 47001164
• Molecular Formula: C22H25N7O2
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.21
• IUPAC Name: N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
• SMILES: COc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1
• InChI: InChI=1S/C22H25N7O2/c1-16-6-5-9-19(23-16)25-20-10-11-21(27-26-20)28-12-14-29(15-13-28)22(30)24-17-7-3-4-8-18(17)31-2/h3-11H,12-15H2,1-2H3,(H,24,30)(H,23,25,26)
• InChIKey: SLLQMULWNVZCLP-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 95.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (CID 47001164) is N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1.

What is the InChIKey of N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

The InChIKey is SLLQMULWNVZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-16-6-5-9-19(23-16)25-20-10-11-21(27-26-20)28-12-14-29(15-13-28)22(30)24-17-7-3-4-8-18(17)31-2/h3-11H,12-15H2,1-2H3,(H,24,30)(H,23,25,26).

What are the key properties of N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 47001164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).