2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide

C17H21N3O4 — CID 3224474

IUPAC2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O
InChIInChI=1S/C17H21N3O4/c1-23-10-4-9-18-16(21)12-20-17(22)8-7-15(19-20)13-5-3-6-14(11-13)24-2/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,18,21)
InChIKeyCEGIDTPCMNKJCC-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.07
Rot. Bonds8

About 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 3224474) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID3224474
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O
InChIInChI=1S/C17H21N3O4/c1-23-10-4-9-18-16(21)12-20-17(22)8-7-15(19-20)13-5-3-6-14(11-13)24-2/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,18,21)
InChIKeyCEGIDTPCMNKJCC-UHFFFAOYSA-N
XLogP1.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 51044931
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7666380
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121051159
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51044819
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 121050192

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 3224474) is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is CEGIDTPCMNKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-10-4-9-18-16(21)12-20-17(22)8-7-15(19-20)13-5-3-6-14(11-13)24-2/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 3224474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).