5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one

C25H31N5O2 — CID 136633798

IUPAC5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
SMILESCN(c1ccc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H31N5O2/c1-24(2)13-18(14-25(3,4)29-24)30(5)22-10-9-20(27-28-22)19-8-6-16(12-21(19)31)17-7-11-23(32)26-15-17/h6-12,15,18,29,31H,13-14H2,1-5H3,(H,26,32)
InChIKeyAPWQYEQRPLCCCG-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.95
Rot. Bonds4

About 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one

5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one (PubChem CID 136633798) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
PubChem CID136633798
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
SMILESCN(c1ccc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H31N5O2/c1-24(2)13-18(14-25(3,4)29-24)30(5)22-10-9-20(27-28-22)19-8-6-16(12-21(19)31)17-7-11-23(32)26-15-17/h6-12,15,18,29,31H,13-14H2,1-5H3,(H,26,32)
InChIKeyAPWQYEQRPLCCCG-UHFFFAOYSA-N
XLogP3.95
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one (CID 136633798) is 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one is CN(c1ccc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one?
The InChIKey is APWQYEQRPLCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-24(2)13-18(14-25(3,4)29-24)30(5)22-10-9-20(27-28-22)19-8-6-16(12-21(19)31)17-7-11-23(32)26-15-17/h6-12,15,18,29,31H,13-14H2,1-5H3,(H,26,32).
What are the key properties of 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one?
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 433.56 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 136633798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).