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

C13H13N3O3 — CID 170368976

IUPAC2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
SMILESCOc1nn(CC(N)=O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-19-13-10(9-5-3-2-4-6-9)7-12(18)16(15-13)8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyQXVMXNDYMLPMLY-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.40
Rot. Bonds4

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

2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide (PubChem CID 170368976) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
PubChem CID170368976
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
SMILESCOc1nn(CC(N)=O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-19-13-10(9-5-3-2-4-6-9)7-12(18)16(15-13)8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyQXVMXNDYMLPMLY-UHFFFAOYSA-N
XLogP0.40
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
The IUPAC name of 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide (CID 170368976) is 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide is COc1nn(CC(N)=O)c(=O)cc1-c1ccccc1.
What is the InChIKey of 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
The InChIKey is QXVMXNDYMLPMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13-10(9-5-3-2-4-6-9)7-12(18)16(15-13)8-11(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide?
2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide has a molecular weight of 259.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 170368976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).