2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide

C17H21N3O4 — CID 91938949

IUPAC2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C17H21N3O4/c1-23-10-6-9-18-15(21)12-20-16(22)11-14(24-2)17(19-20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,18,21)
InChIKeyGVYGDVACAFFQTK-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.07
Rot. Bonds8

About 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide

2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 91938949) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID91938949
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C17H21N3O4/c1-23-10-6-9-18-15(21)12-20-16(22)11-14(24-2)17(19-20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,18,21)
InChIKeyGVYGDVACAFFQTK-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide (CID 91938949) is 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O.
What is the InChIKey of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is GVYGDVACAFFQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-10-6-9-18-15(21)12-20-16(22)11-14(24-2)17(19-20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
2-(4-methoxy-6-oxo-3-phenylpyridazin-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-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 91938949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).