3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide

C32H41N5O2 — CID 93160222

About 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide

3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide (PubChem CID 93160222) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide
• PubChem CID: 93160222
• Molecular Formula: C32H41N5O2
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.33
• IUPAC Name: 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide
• SMILES: CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)CC(C)C
• InChI: InChI=1S/C32H41N5O2/c1-5-25(4)22-37(31(38)21-24(2)3)23-32(39)36-19-17-35(18-20-36)30-16-15-29(33-34-30)28-13-11-27(12-14-28)26-9-7-6-8-10-26/h6-16,24-25H,5,17-23H2,1-4H3/t25-/m1/s1
• InChIKey: AMOQXGMUTLZXKG-RUZDIDTESA-N
• XLogP: 5.38
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide?

The IUPAC name of 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide (CID 93160222) is 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide.

What is the SMILES notation for 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide?

The canonical SMILES for 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide is CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)CC(C)C.

What is the InChIKey of 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide?

The InChIKey is AMOQXGMUTLZXKG-RUZDIDTESA-N. The full InChI is InChI=1S/C32H41N5O2/c1-5-25(4)22-37(31(38)21-24(2)3)23-32(39)36-19-17-35(18-20-36)30-16-15-29(33-34-30)28-13-11-27(12-14-28)26-9-7-6-8-10-26/h6-16,24-25H,5,17-23H2,1-4H3/t25-/m1/s1.

What are the key properties of 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide?

3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide has a molecular weight of 527.71 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 93160222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).