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

C16H19N3O4 — CID 648546

IUPACN-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O
InChIInChI=1S/C16H19N3O4/c1-22-10-9-17-15(20)11-19-16(21)8-7-13(18-19)12-5-3-4-6-14(12)23-2/h3-8H,9-11H2,1-2H3,(H,17,20)
InChIKeyADOWHSVOAOSWKG-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.68
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 648546) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID648546
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O
InChIInChI=1S/C16H19N3O4/c1-22-10-9-17-15(20)11-19-16(21)8-7-13(18-19)12-5-3-4-6-14(12)23-2/h3-8H,9-11H2,1-2H3,(H,17,20)
InChIKeyADOWHSVOAOSWKG-UHFFFAOYSA-N
XLogP0.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.68
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 N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 648546) is N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ADOWHSVOAOSWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-10-9-17-15(20)11-19-16(21)8-7-13(18-19)12-5-3-4-6-14(12)23-2/h3-8H,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 648546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).