N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

C21H20N4O3 — CID 113049082

IUPACN-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)COc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C21H20N4O3/c1-14-6-8-18(9-7-14)28-13-21(27)23-20-11-10-19(24-25-20)22-17-5-3-4-16(12-17)15(2)26/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,27)
InChIKeyDJODISHILAIXDU-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.75
Rot. Bonds7

About N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 113049082) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID113049082
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)COc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C21H20N4O3/c1-14-6-8-18(9-7-14)28-13-21(27)23-20-11-10-19(24-25-20)22-17-5-3-4-16(12-17)15(2)26/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,27)
InChIKeyDJODISHILAIXDU-UHFFFAOYSA-N
XLogP3.75
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113047843
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112988313
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (CID 113049082) is N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is CC(=O)c1cccc(Nc2ccc(NC(=O)COc3ccc(C)cc3)nn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is DJODISHILAIXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-6-8-18(9-7-14)28-13-21(27)23-20-11-10-19(24-25-20)22-17-5-3-4-16(12-17)15(2)26/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113049082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).