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

C19H13FN6O3 — CID 53157397

IUPACN-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C19H13FN6O3/c20-13-2-1-3-14(10-13)22-16(27)11-26-17(28)5-4-15(24-26)19-23-18(25-29-19)12-6-8-21-9-7-12/h1-10H,11H2,(H,22,27)
InChIKeyNYNBVCGAYZXNHM-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.13
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide (PubChem CID 53157397) has the molecular formula C19H13FN6O3 and a molecular weight of 392.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
PubChem CID53157397
Molecular FormulaC19H13FN6O3
Molecular Weight392.35 g/mol
Exact Mass392.10
IUPAC NameN-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C19H13FN6O3/c20-13-2-1-3-14(10-13)22-16(27)11-26-17(28)5-4-15(24-26)19-23-18(25-29-19)12-6-8-21-9-7-12/h1-10H,11H2,(H,22,27)
InChIKeyNYNBVCGAYZXNHM-UHFFFAOYSA-N
XLogP2.13
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide
CID 53157385
N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157399
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53157360
N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
N-(3-fluorophenyl)-2-[2-methyl-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178108
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53157324
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157403

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide (CID 53157397) is N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide is O=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The InChIKey is NYNBVCGAYZXNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O3/c20-13-2-1-3-14(10-13)22-16(27)11-26-17(28)5-4-15(24-26)19-23-18(25-29-19)12-6-8-21-9-7-12/h1-10H,11H2,(H,22,27).
What are the key properties of N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide has a molecular weight of 392.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 53157397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).