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

C21H29FN4O — CID 86710625

IUPAC4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cccc(F)c1-c1ccnnc1N(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H29FN4O/c1-20(2)12-14(13-21(3,4)25-20)26(5)19-15(10-11-23-24-19)18-16(22)8-7-9-17(18)27-6/h7-11,14,25H,12-13H2,1-6H3
InChIKeyBZCMZBGSVGHDKB-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.04
Rot. Bonds4

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

4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710625) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710625
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1cccc(F)c1-c1ccnnc1N(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H29FN4O/c1-20(2)12-14(13-21(3,4)25-20)26(5)19-15(10-11-23-24-19)18-16(22)8-7-9-17(18)27-6/h7-11,14,25H,12-13H2,1-6H3
InChIKeyBZCMZBGSVGHDKB-UHFFFAOYSA-N
XLogP4.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 86710625) is 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1cccc(F)c1-c1ccnnc1N(C)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is BZCMZBGSVGHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-20(2)12-14(13-21(3,4)25-20)26(5)19-15(10-11-23-24-19)18-16(22)8-7-9-17(18)27-6/h7-11,14,25H,12-13H2,1-6H3.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 372.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).