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

C19H14N6O3 — CID 53157385

IUPAC2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C19H14N6O3/c26-16(21-14-4-2-1-3-5-14)12-25-17(27)7-6-15(23-25)19-22-18(24-28-19)13-8-10-20-11-9-13/h1-11H,12H2,(H,21,26)
InChIKeyUWXHJFRKEOBVNY-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.99
Rot. Bonds5

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

2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide (PubChem CID 53157385) has the molecular formula C19H14N6O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide
PubChem CID53157385
Molecular FormulaC19H14N6O3
Molecular Weight374.36 g/mol
Exact Mass374.11
IUPAC Name2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C19H14N6O3/c26-16(21-14-4-2-1-3-5-14)12-25-17(27)7-6-15(23-25)19-22-18(24-28-19)13-8-10-20-11-9-13/h1-11H,12H2,(H,21,26)
InChIKeyUWXHJFRKEOBVNY-UHFFFAOYSA-N
XLogP1.99
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157399
N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157397
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157403
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53157324
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53157360
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide (CID 53157385) is 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide is O=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1ccccc1.
What is the InChIKey of 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide?
The InChIKey is UWXHJFRKEOBVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3/c26-16(21-14-4-2-1-3-5-14)12-25-17(27)7-6-15(23-25)19-22-18(24-28-19)13-8-10-20-11-9-13/h1-11H,12H2,(H,21,26).
What are the key properties of 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide?
2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide has a molecular weight of 374.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 53157385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).