N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C22H23N3O5 — CID 46636276

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2ccc(=O)n(CCOC)n2)cc1
InChIInChI=1S/C22H23N3O5/c1-3-29-16-8-10-17(11-9-16)30-20-7-5-4-6-18(20)23-22(27)19-12-13-21(26)25(24-19)14-15-28-2/h4-13H,3,14-15H2,1-2H3,(H,23,27)
InChIKeyXBEDFIGXEFDYMH-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.33
Rot. Bonds9

About N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 46636276) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID46636276
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2ccc(=O)n(CCOC)n2)cc1
InChIInChI=1S/C22H23N3O5/c1-3-29-16-8-10-17(11-9-16)30-20-7-5-4-6-18(20)23-22(27)19-12-13-21(26)25(24-19)14-15-28-2/h4-13H,3,14-15H2,1-2H3,(H,23,27)
InChIKeyXBEDFIGXEFDYMH-UHFFFAOYSA-N
XLogP3.33
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24676491
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55957270
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 31526625
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55985605
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 46636276) is N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(=O)n(CCOC)n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is XBEDFIGXEFDYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-29-16-8-10-17(11-9-16)30-20-7-5-4-6-18(20)23-22(27)19-12-13-21(26)25(24-19)14-15-28-2/h4-13H,3,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 46636276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).