N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C18H22BrN3O4 — CID 71873234

IUPACN-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C18H22BrN3O4/c1-3-21(10-13-26-15-6-4-14(19)5-7-15)18(24)16-8-9-17(23)22(20-16)11-12-25-2/h4-9H,3,10-13H2,1-2H3
InChIKeyMXQCZQJPHNRNHU-UHFFFAOYSA-N
MW424.30 g/mol
LogP2.19
Rot. Bonds9

About N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 71873234) has the molecular formula C18H22BrN3O4 and a molecular weight of 424.30 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID71873234
Molecular FormulaC18H22BrN3O4
Molecular Weight424.30 g/mol
Exact Mass423.08
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C18H22BrN3O4/c1-3-21(10-13-26-15-6-4-14(19)5-7-15)18(24)16-8-9-17(23)22(20-16)11-12-25-2/h4-9H,3,10-13H2,1-2H3
InChIKeyMXQCZQJPHNRNHU-UHFFFAOYSA-N
XLogP2.19
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 61008268
N-ethyl-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 115771207
1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 31641773
2-(4-bromophenoxy)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 55310852
N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55688997
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119805687
N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 71873234) is N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MXQCZQJPHNRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O4/c1-3-21(10-13-26-15-6-4-14(19)5-7-15)18(24)16-8-9-17(23)22(20-16)11-12-25-2/h4-9H,3,10-13H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 424.30 g/mol, XLogP of 2.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71873234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).