N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C21H19FN4O4 — CID 55532981

IUPACN-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)ccc1F
InChIInChI=1S/C21H19FN4O4/c1-14(27)23-19-13-15(7-8-17(19)22)24-21(29)18-9-10-20(28)26(25-18)11-12-30-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,29)
InChIKeyAVZPVJDJKVGGCE-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.67
Rot. Bonds7

About N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55532981) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55532981
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC NameN-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)ccc1F
InChIInChI=1S/C21H19FN4O4/c1-14(27)23-19-13-15(7-8-17(19)22)24-21(29)18-9-10-20(28)26(25-18)11-12-30-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,29)
InChIKeyAVZPVJDJKVGGCE-UHFFFAOYSA-N
XLogP2.67
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55956780
(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26719395
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55532981) is N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CC(=O)Nc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is AVZPVJDJKVGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-14(27)23-19-13-15(7-8-17(19)22)24-21(29)18-9-10-20(28)26(25-18)11-12-30-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,29).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55532981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).