N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

C26H23N3O3 — CID 121050299

IUPACN-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N3O3/c1-32-23-14-12-21(13-15-23)24-16-17-25(30)29(27-24)19-26(31)28(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3
InChIKeyIJKGSQDJTMCASS-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 121050299) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID121050299
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N3O3/c1-32-23-14-12-21(13-15-23)24-16-17-25(30)29(27-24)19-26(31)28(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3
InChIKeyIJKGSQDJTMCASS-UHFFFAOYSA-N
XLogP4.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885143
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051656
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-benzyl-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-methylacetamide
CID 20953560
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51049159
N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051530

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 121050299) is N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is COc1ccc(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is IJKGSQDJTMCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-23-14-12-21(13-15-23)24-16-17-25(30)29(27-24)19-26(31)28(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3.
What are the key properties of N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 425.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 121050299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).