2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide

C14H17N3O2 — CID 145131523

IUPAC2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCC1=NN(CC(=O)Nc2ccc(C)cc2)C(=O)CC1
InChIInChI=1S/C14H17N3O2/c1-10-3-6-12(7-4-10)15-13(18)9-17-14(19)8-5-11(2)16-17/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyFYYMGOWQQKPESD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 145131523) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID145131523
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCC1=NN(CC(=O)Nc2ccc(C)cc2)C(=O)CC1
InChIInChI=1S/C14H17N3O2/c1-10-3-6-12(7-4-10)15-13(18)9-17-14(19)8-5-11(2)16-17/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyFYYMGOWQQKPESD-UHFFFAOYSA-N
XLogP1.93
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157467
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
CID 71598231
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230640
1-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53336336
1-(2-anilino-2-oxoethyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157462
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 132541266
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methylphenyl)acetamide
CID 6567246
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide (CID 145131523) is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide is CC1=NN(CC(=O)Nc2ccc(C)cc2)C(=O)CC1.
What is the InChIKey of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is FYYMGOWQQKPESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-3-6-12(7-4-10)15-13(18)9-17-14(19)8-5-11(2)16-17/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 145131523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).