2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide

C18H21FN4O3 — CID 53200764

IUPAC2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
SMILESCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O3/c1-22-18(25)17(23-9-3-2-4-10-23)15(11-20-22)21-16(24)12-26-14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,24)
InChIKeyPDWZHUBIYIVZSH-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.93
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide

2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide (PubChem CID 53200764) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
PubChem CID53200764
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
SMILESCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O3/c1-22-18(25)17(23-9-3-2-4-10-23)15(11-20-22)21-16(24)12-26-14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,24)
InChIKeyPDWZHUBIYIVZSH-UHFFFAOYSA-N
XLogP1.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide (CID 53200764) is 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide is Cn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCCCC2)c1=O.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The InChIKey is PDWZHUBIYIVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-22-18(25)17(23-9-3-2-4-10-23)15(11-20-22)21-16(24)12-26-14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide is sourced from PubChem (CID 53200764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).