3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile

C22H29N5O — CID 86710662

IUPAC3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile
SMILESCOc1cc(C#N)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C22H29N5O/c1-21(2)12-16(13-22(3,4)26-21)27(5)20-10-9-18(24-25-20)17-8-7-15(14-23)11-19(17)28-6/h7-11,16,26H,12-13H2,1-6H3
InChIKeyUGNZDAGQLDFKBI-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.77
Rot. Bonds4

About 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile

3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile (PubChem CID 86710662) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile
PubChem CID86710662
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile
SMILESCOc1cc(C#N)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C22H29N5O/c1-21(2)12-16(13-22(3,4)26-21)27(5)20-10-9-18(24-25-20)17-8-7-15(14-23)11-19(17)28-6/h7-11,16,26H,12-13H2,1-6H3
InChIKeyUGNZDAGQLDFKBI-UHFFFAOYSA-N
XLogP3.77
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 49860473
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CID 130366506
CID 6411203
CID 6411203
CID 6411205
CID 6411205
CID 71528508
CID 71528508
CID 71528509
CID 71528509
CID 46226070
CID 46226070
CID 169708802
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CID 169711884
CID 169711884

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile?
The IUPAC name of 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile (CID 86710662) is 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile is COc1cc(C#N)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile?
The InChIKey is UGNZDAGQLDFKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-21(2)12-16(13-22(3,4)26-21)27(5)20-10-9-18(24-25-20)17-8-7-15(14-23)11-19(17)28-6/h7-11,16,26H,12-13H2,1-6H3.
What are the key properties of 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile?
3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile has a molecular weight of 379.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 86710662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).