3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

C26H34N4O5 — CID 14003413

About 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 14003413) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• PubChem CID: 14003413
• Molecular Formula: C26H34N4O5
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.25
• IUPAC Name: 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• SMILES: COCCc1ccc(OCC(O)CNCCC(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)cc1
• InChI: InChI=1S/C26H34N4O5/c1-18-15-25(33)29-30-26(18)20-5-7-21(8-6-20)28-24(32)11-13-27-16-22(31)17-35-23-9-3-19(4-10-23)12-14-34-2/h3-10,18,22,27,31H,11-17H2,1-2H3,(H,28,32)(H,29,33)
• InChIKey: CJECYODSXWTYSY-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 121.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The IUPAC name of 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 14003413) is 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

What is the SMILES notation for 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The canonical SMILES for 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is COCCc1ccc(OCC(O)CNCCC(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)cc1.

What is the InChIKey of 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The InChIKey is CJECYODSXWTYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-18-15-25(33)29-30-26(18)20-5-7-21(8-6-20)28-24(32)11-13-27-16-22(31)17-35-23-9-3-19(4-10-23)12-14-34-2/h3-10,18,22,27,31H,11-17H2,1-2H3,(H,28,32)(H,29,33).

What are the key properties of 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 482.58 g/mol, XLogP of 2.09, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 14003413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).