7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol

C29H40N4O3 — CID 136598271

About 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol

7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol (PubChem CID 136598271) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
• PubChem CID: 136598271
• Molecular Formula: C29H40N4O3
• Molecular Weight: 492.66 g/mol
• Exact Mass: 492.31
• IUPAC Name: 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
• SMILES: CN(c1ccc(-c2cc3ccc(OCCC(C)(C)O)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C29H40N4O3/c1-27(2)17-21(18-28(3,4)32-27)33(7)26-11-10-24(30-31-26)23-15-19-8-9-22(14-20(19)16-25(23)34)36-13-12-29(5,6)35/h8-11,14-16,21,32,34-35H,12-13,17-18H2,1-7H3
• InChIKey: ADNBSVXKADLTAE-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 90.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.66
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

The IUPAC name of 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol (CID 136598271) is 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol.

What is the SMILES notation for 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

The canonical SMILES for 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol is CN(c1ccc(-c2cc3ccc(OCCC(C)(C)O)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

The InChIKey is ADNBSVXKADLTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-27(2)17-21(18-28(3,4)32-27)33(7)26-11-10-24(30-31-26)23-15-19-8-9-22(14-20(19)16-25(23)34)36-13-12-29(5,6)35/h8-11,14-16,21,32,34-35H,12-13,17-18H2,1-7H3.

What are the key properties of 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol?

7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol has a molecular weight of 492.66 g/mol, XLogP of 5.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-hydroxy-3-methylbutoxy)-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 136598271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).