N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide

C31H40N6O2 — CID 42836560

About N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide

N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide (PubChem CID 42836560) has the molecular formula C31H40N6O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
• PubChem CID: 42836560
• Molecular Formula: C31H40N6O2
• Molecular Weight: 528.70 g/mol
• Exact Mass: 528.32
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
• SMILES: CCC(=O)N(CCN(CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
• InChI: InChI=1S/C31H40N6O2/c1-4-30(38)37(19-18-34(5-2)6-3)24-31(39)36-22-20-35(21-23-36)29-17-16-28(32-33-29)27-14-12-26(13-15-27)25-10-8-7-9-11-25/h7-17H,4-6,18-24H2,1-3H3
• InChIKey: VBFQFGVRISHXLO-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 72.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.70
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide (CID 42836560) is N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide is CCC(=O)N(CCN(CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide?

The InChIKey is VBFQFGVRISHXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O2/c1-4-30(38)37(19-18-34(5-2)6-3)24-31(39)36-22-20-35(21-23-36)29-17-16-28(32-33-29)27-14-12-26(13-15-27)25-10-8-7-9-11-25/h7-17H,4-6,18-24H2,1-3H3.

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

N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide has a molecular weight of 528.70 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 42836560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).