2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide

C18H16N4O3 — CID 51043135

IUPAC2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccn3)n2)c1
InChIInChI=1S/C18H16N4O3/c1-25-14-6-4-5-13(11-14)15-8-9-18(24)22(21-15)12-17(23)20-16-7-2-3-10-19-16/h2-11H,12H2,1H3,(H,19,20,23)
InChIKeyBUOJGGZPPLCURS-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.95
Rot. Bonds5

About 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 51043135) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID51043135
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccn3)n2)c1
InChIInChI=1S/C18H16N4O3/c1-25-14-6-4-5-13(11-14)15-8-9-18(24)22(21-15)12-17(23)20-16-7-2-3-10-19-16/h2-11H,12H2,1H3,(H,19,20,23)
InChIKeyBUOJGGZPPLCURS-UHFFFAOYSA-N
XLogP1.95
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide (CID 51043135) is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide is COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccn3)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is BUOJGGZPPLCURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-14-6-4-5-13(11-14)15-8-9-18(24)22(21-15)12-17(23)20-16-7-2-3-10-19-16/h2-11H,12H2,1H3,(H,19,20,23).
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 336.35 g/mol, XLogP of 1.95, 5 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-pyridin-2-ylacetamide is sourced from PubChem (CID 51043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).