2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide

C15H16FN3O2 — CID 56782715

IUPAC2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2ccc(F)cc2)nnc1C
InChIInChI=1S/C15H16FN3O2/c1-10-7-15(19-18-11(10)2)21-9-14(20)17-8-12-3-5-13(16)6-4-12/h3-7H,8-9H2,1-2H3,(H,17,20)
InChIKeyOSMCBDNZPBCECP-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.93
Rot. Bonds5

About 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide

2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 56782715) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID56782715
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2ccc(F)cc2)nnc1C
InChIInChI=1S/C15H16FN3O2/c1-10-7-15(19-18-11(10)2)21-9-14(20)17-8-12-3-5-13(16)6-4-12/h3-7H,8-9H2,1-2H3,(H,17,20)
InChIKeyOSMCBDNZPBCECP-UHFFFAOYSA-N
XLogP1.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide (CID 56782715) is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(OCC(=O)NCc2ccc(F)cc2)nnc1C.
What is the InChIKey of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is OSMCBDNZPBCECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-7-15(19-18-11(10)2)21-9-14(20)17-8-12-3-5-13(16)6-4-12/h3-7H,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide?
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 56782715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).