N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C28H33F3N4O2 — CID 86710617

IUPACN-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H33F3N4O2/c1-26(2)16-20(17-27(3,4)34-26)35(5)25-14-13-23(32-33-25)22-12-11-21(15-24(22)37-28(29,30)31)36-18-19-9-7-6-8-10-19/h6-15,20,34H,16-18H2,1-5H3
InChIKeyIYAIZRCBPGSZEB-UHFFFAOYSA-N
MW514.59 g/mol
LogP6.37
Rot. Bonds7

About N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710617) has the molecular formula C28H33F3N4O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710617
Molecular FormulaC28H33F3N4O2
Molecular Weight514.59 g/mol
Exact Mass514.26
IUPAC NameN-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H33F3N4O2/c1-26(2)16-20(17-27(3,4)34-26)35(5)25-14-13-23(32-33-25)22-12-11-21(15-24(22)37-28(29,30)31)36-18-19-9-7-6-8-10-19/h6-15,20,34H,16-18H2,1-5H3
InChIKeyIYAIZRCBPGSZEB-UHFFFAOYSA-N
XLogP6.37
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 86710617) is N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1ccc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is IYAIZRCBPGSZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O2/c1-26(2)16-20(17-27(3,4)34-26)35(5)25-14-13-23(32-33-25)22-12-11-21(15-24(22)37-28(29,30)31)36-18-19-9-7-6-8-10-19/h6-15,20,34H,16-18H2,1-5H3.
What are the key properties of N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 514.59 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-phenylmethoxy-2-(trifluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).