2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide

C14H17N3O3 — CID 56782757

IUPAC2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2ccco2)nnc1C
InChIInChI=1S/C14H17N3O3/c1-10-7-13(16-15-11(10)2)20-9-14(18)17(3)8-12-5-4-6-19-12/h4-7H,8-9H2,1-3H3
InChIKeyYVRGRJSJCJOWHU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.72
Rot. Bonds5

About 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide

2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 56782757) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID56782757
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2ccco2)nnc1C
InChIInChI=1S/C14H17N3O3/c1-10-7-13(16-15-11(10)2)20-9-14(18)17(3)8-12-5-4-6-19-12/h4-7H,8-9H2,1-3H3
InChIKeyYVRGRJSJCJOWHU-UHFFFAOYSA-N
XLogP1.72
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide (CID 56782757) is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide is Cc1cc(OCC(=O)N(C)Cc2ccco2)nnc1C.
What is the InChIKey of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is YVRGRJSJCJOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-7-13(16-15-11(10)2)20-9-14(18)17(3)8-12-5-4-6-19-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 56782757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).