N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C27H34N4O — CID 141443158

IUPACN-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccccc2OCc2ccccc2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H34N4O/c1-26(2)17-21(18-27(3,4)30-26)31(5)25-16-15-23(28-29-25)22-13-9-10-14-24(22)32-19-20-11-7-6-8-12-20/h6-16,21,30H,17-19H2,1-5H3
InChIKeyYSVHQCOVJHBTMX-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.47
Rot. Bonds6

About N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 141443158) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID141443158
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccccc2OCc2ccccc2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H34N4O/c1-26(2)17-21(18-27(3,4)30-26)31(5)25-16-15-23(28-29-25)22-13-9-10-14-24(22)32-19-20-11-7-6-8-12-20/h6-16,21,30H,17-19H2,1-5H3
InChIKeyYSVHQCOVJHBTMX-UHFFFAOYSA-N
XLogP5.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 141443158) is N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1ccc(-c2ccccc2OCc2ccccc2)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is YSVHQCOVJHBTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-26(2)17-21(18-27(3,4)30-26)31(5)25-16-15-23(28-29-25)22-13-9-10-14-24(22)32-19-20-11-7-6-8-12-20/h6-16,21,30H,17-19H2,1-5H3.
What are the key properties of N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 430.60 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 141443158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).