2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide

C13H14N4O2 — CID 116786130

IUPAC2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide
SMILESNCc1ccccc1OCC(=O)Nc1cccnn1
InChIInChI=1S/C13H14N4O2/c14-8-10-4-1-2-5-11(10)19-9-13(18)16-12-6-3-7-15-17-12/h1-7H,8-9,14H2,(H,16,17,18)
InChIKeyJPMKCYQJQOCBLX-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide

2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide (PubChem CID 116786130) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide
PubChem CID116786130
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide
SMILESNCc1ccccc1OCC(=O)Nc1cccnn1
InChIInChI=1S/C13H14N4O2/c14-8-10-4-1-2-5-11(10)19-9-13(18)16-12-6-3-7-15-17-12/h1-7H,8-9,14H2,(H,16,17,18)
InChIKeyJPMKCYQJQOCBLX-UHFFFAOYSA-N
XLogP0.95
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide (CID 116786130) is 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide is NCc1ccccc1OCC(=O)Nc1cccnn1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide?
The InChIKey is JPMKCYQJQOCBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-8-10-4-1-2-5-11(10)19-9-13(18)16-12-6-3-7-15-17-12/h1-7H,8-9,14H2,(H,16,17,18).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide?
2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide has a molecular weight of 258.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-pyridazin-3-ylacetamide is sourced from PubChem (CID 116786130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).