4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one

C24H28N4O2 — CID 154988068

IUPAC4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(-c3ccc(N(C)C4CCCCC4)nn3)c(O)c2)cc(=O)n1C
InChIInChI=1S/C24H28N4O2/c1-16-13-18(15-24(30)27(16)2)17-9-10-20(22(29)14-17)21-11-12-23(26-25-21)28(3)19-7-5-4-6-8-19/h9-15,19,29H,4-8H2,1-3H3
InChIKeyPUTNAWHAEPZUSW-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.29
Rot. Bonds4

About 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one

4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one (PubChem CID 154988068) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one
PubChem CID154988068
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(-c3ccc(N(C)C4CCCCC4)nn3)c(O)c2)cc(=O)n1C
InChIInChI=1S/C24H28N4O2/c1-16-13-18(15-24(30)27(16)2)17-9-10-20(22(29)14-17)21-11-12-23(26-25-21)28(3)19-7-5-4-6-8-19/h9-15,19,29H,4-8H2,1-3H3
InChIKeyPUTNAWHAEPZUSW-UHFFFAOYSA-N
XLogP4.29
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one
CID 154988061
4-[4-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 155407396
5-[4-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 154983385
6-[4-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one
CID 155409166
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2-methylpyrimidin-5-yl)phenol
CID 154983334
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 137464840
(E)-3-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-N-methylbut-2-enamide
CID 166754116
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
CID 136633798
4-[4-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one
CID 154987984
5-(1-methylimidazol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 153483461
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2H-triazol-4-yl)phenol
CID 154983358

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one (CID 154988068) is 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one is Cc1cc(-c2ccc(-c3ccc(N(C)C4CCCCC4)nn3)c(O)c2)cc(=O)n1C.
What is the InChIKey of 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one?
The InChIKey is PUTNAWHAEPZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-13-18(15-24(30)27(16)2)17-9-10-20(22(29)14-17)21-11-12-23(26-25-21)28(3)19-7-5-4-6-8-19/h9-15,19,29H,4-8H2,1-3H3.
What are the key properties of 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one?
4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one has a molecular weight of 404.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 154988068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).