N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide

C19H15FN6O3 — CID 53157196

IUPACN-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
SMILESO=C(CN1N=C(c2nc(-c3ccncc3)no2)CCC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN6O3/c20-13-1-3-14(4-2-13)22-16(27)11-26-17(28)6-5-15(24-26)19-23-18(25-29-19)12-7-9-21-10-8-12/h1-4,7-10H,5-6,11H2,(H,22,27)
InChIKeyFQJKBNAKROTKDB-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.24
Rot. Bonds5

About N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 53157196) has the molecular formula C19H15FN6O3 and a molecular weight of 394.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID53157196
Molecular FormulaC19H15FN6O3
Molecular Weight394.37 g/mol
Exact Mass394.12
IUPAC NameN-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
SMILESO=C(CN1N=C(c2nc(-c3ccncc3)no2)CCC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN6O3/c20-13-1-3-14(4-2-13)22-16(27)11-26-17(28)6-5-15(24-26)19-23-18(25-29-19)12-7-9-21-10-8-12/h1-4,7-10H,5-6,11H2,(H,22,27)
InChIKeyFQJKBNAKROTKDB-UHFFFAOYSA-N
XLogP2.24
TPSA113.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53490859
2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 53367149
N-(3,4-dimethoxyphenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53367143
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
methyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367233
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53367215
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 53367267
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 53367261
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53367259
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53367212
butyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367235
N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide (CID 53157196) is N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide is O=C(CN1N=C(c2nc(-c3ccncc3)no2)CCC1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is FQJKBNAKROTKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O3/c20-13-1-3-14(4-2-13)22-16(27)11-26-17(28)6-5-15(24-26)19-23-18(25-29-19)12-7-9-21-10-8-12/h1-4,7-10H,5-6,11H2,(H,22,27).
What are the key properties of N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 394.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 53157196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).