N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide

C25H28N4O4 — CID 41376654

IUPACN-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2nc(-c3ccc(N4CCCCC4)cc3)ccc2=O)cc(OC)c1
InChIInChI=1S/C25H28N4O4/c1-32-21-14-19(15-22(16-21)33-2)26-24(30)17-29-25(31)11-10-23(27-29)18-6-8-20(9-7-18)28-12-4-3-5-13-28/h6-11,14-16H,3-5,12-13,17H2,1-2H3,(H,26,30)
InChIKeyGQLWBLWGHWRQFV-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.56
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide (PubChem CID 41376654) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
PubChem CID41376654
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2nc(-c3ccc(N4CCCCC4)cc3)ccc2=O)cc(OC)c1
InChIInChI=1S/C25H28N4O4/c1-32-21-14-19(15-22(16-21)33-2)26-24(30)17-29-25(31)11-10-23(27-29)18-6-8-20(9-7-18)28-12-4-3-5-13-28/h6-11,14-16H,3-5,12-13,17H2,1-2H3,(H,26,30)
InChIKeyGQLWBLWGHWRQFV-UHFFFAOYSA-N
XLogP3.56
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052686
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376649
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121051681
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
ethyl 2-[2-[[2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376655

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide (CID 41376654) is N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide is COc1cc(NC(=O)Cn2nc(-c3ccc(N4CCCCC4)cc3)ccc2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
The InChIKey is GQLWBLWGHWRQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-21-14-19(15-22(16-21)33-2)26-24(30)17-29-25(31)11-10-23(27-29)18-6-8-20(9-7-18)28-12-4-3-5-13-28/h6-11,14-16H,3-5,12-13,17H2,1-2H3,(H,26,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 41376654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).