N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide

C18H21FN4O4 — CID 53200851

IUPACN-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide
SMILESCCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCOCC2)c1=O
InChIInChI=1S/C18H21FN4O4/c1-2-23-18(25)17(22-7-9-26-10-8-22)15(11-20-23)21-16(24)12-27-14-5-3-13(19)4-6-14/h3-6,11H,2,7-10,12H2,1H3,(H,21,24)
InChIKeyGWDUNTBLZPIKCO-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.26
Rot. Bonds6

About N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide

N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 53200851) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID53200851
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC NameN-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide
SMILESCCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCOCC2)c1=O
InChIInChI=1S/C18H21FN4O4/c1-2-23-18(25)17(22-7-9-26-10-8-22)15(11-20-23)21-16(24)12-27-14-5-3-13(19)4-6-14/h3-6,11H,2,7-10,12H2,1H3,(H,21,24)
InChIKeyGWDUNTBLZPIKCO-UHFFFAOYSA-N
XLogP1.26
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide (CID 53200851) is N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide is CCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCOCC2)c1=O.
What is the InChIKey of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is GWDUNTBLZPIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-2-23-18(25)17(22-7-9-26-10-8-22)15(11-20-23)21-16(24)12-27-14-5-3-13(19)4-6-14/h3-6,11H,2,7-10,12H2,1H3,(H,21,24).
What are the key properties of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 376.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 53200851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).