N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C21H20FN3O3 — CID 43033670

IUPACN-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c1-15(16-7-9-17(22)10-8-16)23-21(27)19-11-12-20(26)25(24-19)13-14-28-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,23,27)
InChIKeyXDGIQCIMILDOOD-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.95
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 43033670) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID43033670
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c1-15(16-7-9-17(22)10-8-16)23-21(27)19-11-12-20(26)25(24-19)13-14-28-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,23,27)
InChIKeyXDGIQCIMILDOOD-UHFFFAOYSA-N
XLogP2.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534
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-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24582551
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
CID 55437033
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 43033670) is N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is XDGIQCIMILDOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-15(16-7-9-17(22)10-8-16)23-21(27)19-11-12-20(26)25(24-19)13-14-28-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,23,27).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 43033670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).