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

C19H13ClN6O3 — CID 53157399

IUPACN-(4-chlorophenyl)-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)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN6O3/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/h1-10H,11H2,(H,22,27)
InChIKeyCLTMWRWTZKLUIP-UHFFFAOYSA-N
MW408.81 g/mol
LogP2.65
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide (PubChem CID 53157399) has the molecular formula C19H13ClN6O3 and a molecular weight of 408.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
PubChem CID53157399
Molecular FormulaC19H13ClN6O3
Molecular Weight408.81 g/mol
Exact Mass408.07
IUPAC NameN-(4-chlorophenyl)-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)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN6O3/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/h1-10H,11H2,(H,22,27)
InChIKeyCLTMWRWTZKLUIP-UHFFFAOYSA-N
XLogP2.65
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 52.65
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-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157397
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53157360
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157403
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-nitrophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052626
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121051659

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide (CID 53157399) is N-(4-chlorophenyl)-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-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-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)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The InChIKey is CLTMWRWTZKLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O3/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/h1-10H,11H2,(H,22,27).
What are the key properties of N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide has a molecular weight of 408.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 53157399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).