2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide

C15H17N3O3 — CID 42226697

IUPAC2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCn1ncccc1=O
InChIInChI=1S/C15H17N3O3/c1-2-21-13-7-4-3-6-12(13)15(20)16-10-11-18-14(19)8-5-9-17-18/h3-9H,2,10-11H2,1H3,(H,16,20)
InChIKeyXDQZHQFDQLGGDJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.07
Rot. Bonds6

About 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide

2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide (PubChem CID 42226697) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide
PubChem CID42226697
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCn1ncccc1=O
InChIInChI=1S/C15H17N3O3/c1-2-21-13-7-4-3-6-12(13)15(20)16-10-11-18-14(19)8-5-9-17-18/h3-9H,2,10-11H2,1H3,(H,16,20)
InChIKeyXDQZHQFDQLGGDJ-UHFFFAOYSA-N
XLogP1.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide (CID 42226697) is 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide is CCOc1ccccc1C(=O)NCCn1ncccc1=O.
What is the InChIKey of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide?
The InChIKey is XDQZHQFDQLGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-13-7-4-3-6-12(13)15(20)16-10-11-18-14(19)8-5-9-17-18/h3-9H,2,10-11H2,1H3,(H,16,20).
What are the key properties of 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide?
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 42226697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).