N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide

C22H23N3O4 — CID 51048621

IUPACN-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-24(14-16-7-5-4-6-8-16)22(27)15-25-21(26)12-10-18(23-25)17-9-11-19(28-2)20(13-17)29-3/h4-13H,14-15H2,1-3H3
InChIKeyYTMUVRAUQHJILP-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.59
Rot. Bonds7

About N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide

N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide (PubChem CID 51048621) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
PubChem CID51048621
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-24(14-16-7-5-4-6-8-16)22(27)15-25-21(26)12-10-18(23-25)17-9-11-19(28-2)20(13-17)29-3/h4-13H,14-15H2,1-3H3
InChIKeyYTMUVRAUQHJILP-UHFFFAOYSA-N
XLogP2.59
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 121050752
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95394900
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51049159
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95394973
2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-2-phenylacetic acid
CID 53369781
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55875216
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N,N-dibenzylacetamide
CID 121051210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide (CID 51048621) is N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide is COc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)cc1OC.
What is the InChIKey of N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The InChIKey is YTMUVRAUQHJILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24(14-16-7-5-4-6-8-16)22(27)15-25-21(26)12-10-18(23-25)17-9-11-19(28-2)20(13-17)29-3/h4-13H,14-15H2,1-3H3.
What are the key properties of N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide has a molecular weight of 393.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51048621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).