N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide

C22H22N4O4 — CID 46381586

IUPACN-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C22H22N4O4/c1-14-4-9-19(12-15(14)2)26-22(29)11-10-21(25-26)30-13-20(28)24-18-7-5-17(6-8-18)23-16(3)27/h4-12H,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyAUWMQPAJPBUYPQ-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.83
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide

N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide (PubChem CID 46381586) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
PubChem CID46381586
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C22H22N4O4/c1-14-4-9-19(12-15(14)2)26-22(29)11-10-21(25-26)30-13-20(28)24-18-7-5-17(6-8-18)23-16(3)27/h4-12H,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyAUWMQPAJPBUYPQ-UHFFFAOYSA-N
XLogP2.83
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 46381550
N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381563
N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381542
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 95085426
(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92881062
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791739
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide
CID 46381619
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide
CID 46381662

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide (CID 46381586) is N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
The InChIKey is AUWMQPAJPBUYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-4-9-19(12-15(14)2)26-22(29)11-10-21(25-26)30-13-20(28)24-18-7-5-17(6-8-18)23-16(3)27/h4-12H,13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide has a molecular weight of 406.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide is sourced from PubChem (CID 46381586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).