2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide

C28H33N5O2 — CID 93156348

About 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide

2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 93156348) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide
• PubChem CID: 93156348
• Molecular Formula: C28H33N5O2
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.26
• IUPAC Name: 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide
• SMILES: CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)[C@H](C)c1ccccc1
• InChI: InChI=1S/C28H33N5O2/c1-21(2)28(35)33(22(3)23-10-6-4-7-11-23)20-27(34)32-18-16-31(17-19-32)26-15-14-25(29-30-26)24-12-8-5-9-13-24/h4-15,21-22H,16-20H2,1-3H3/t22-/m1/s1
• InChIKey: FCPCJOWRQQIRFS-JOCHJYFZSA-N
• XLogP: 4.04
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide?

The IUPAC name of 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide (CID 93156348) is 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide.

What is the SMILES notation for 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide?

The canonical SMILES for 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide is CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)[C@H](C)c1ccccc1.

What is the InChIKey of 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide?

The InChIKey is FCPCJOWRQQIRFS-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-21(2)28(35)33(22(3)23-10-6-4-7-11-23)20-27(34)32-18-16-31(17-19-32)26-15-14-25(29-30-26)24-12-8-5-9-13-24/h4-15,21-22H,16-20H2,1-3H3/t22-/m1/s1.

What are the key properties of 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide?

2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 471.61 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 93156348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).