methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate

C23H22ClN3O5 — CID 55437033

IUPACmethyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O5/c1-31-22(29)15-20(16-7-9-17(24)10-8-16)25-23(30)19-11-12-21(28)27(26-19)13-14-32-18-5-3-2-4-6-18/h2-12,20H,13-15H2,1H3,(H,25,30)
InChIKeyQWLLRDFEEBVJNS-UHFFFAOYSA-N
MW455.90 g/mol
LogP3.01
Rot. Bonds9

About methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate

methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate (PubChem CID 55437033) has the molecular formula C23H22ClN3O5 and a molecular weight of 455.90 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
PubChem CID55437033
Molecular FormulaC23H22ClN3O5
Molecular Weight455.90 g/mol
Exact Mass455.12
IUPAC Namemethyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O5/c1-31-22(29)15-20(16-7-9-17(24)10-8-16)25-23(30)19-11-12-21(28)27(26-19)13-14-32-18-5-3-2-4-6-18/h2-12,20H,13-15H2,1H3,(H,25,30)
InChIKeyQWLLRDFEEBVJNS-UHFFFAOYSA-N
XLogP3.01
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24582551
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256857

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate (CID 55437033) is methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate?
The InChIKey is QWLLRDFEEBVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5/c1-31-22(29)15-20(16-7-9-17(24)10-8-16)25-23(30)19-11-12-21(28)27(26-19)13-14-32-18-5-3-2-4-6-18/h2-12,20H,13-15H2,1H3,(H,25,30).
What are the key properties of methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate?
methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate has a molecular weight of 455.90 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 55437033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).