N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C21H20ClN3O3 — CID 24505534

IUPACN-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O3/c1-15(16-6-5-7-17(22)14-16)23-21(27)19-10-11-20(26)25(24-19)12-13-28-18-8-3-2-4-9-18/h2-11,14-15H,12-13H2,1H3,(H,23,27)
InChIKeyDALUTVYQGTWLFE-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.47
Rot. Bonds7

About N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 24505534) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID24505534
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O3/c1-15(16-6-5-7-17(22)14-16)23-21(27)19-10-11-20(26)25(24-19)12-13-28-18-8-3-2-4-9-18/h2-11,14-15H,12-13H2,1H3,(H,23,27)
InChIKeyDALUTVYQGTWLFE-UHFFFAOYSA-N
XLogP3.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
CID 55437033
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
1-(2-methoxyethyl)-6-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridazine-3-carboxamide
CID 94015301
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 24505534) is N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is DALUTVYQGTWLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-15(16-6-5-7-17(22)14-16)23-21(27)19-10-11-20(26)25(24-19)12-13-28-18-8-3-2-4-9-18/h2-11,14-15H,12-13H2,1H3,(H,23,27).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 24505534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).