6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide

C15H13ClN6O2 — CID 133339646

IUPAC6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nn1
InChIInChI=1S/C15H13ClN6O2/c1-17-15(23)11-5-6-12(21-20-11)18-8-13-19-14(22-24-13)9-3-2-4-10(16)7-9/h2-7H,8H2,1H3,(H,17,23)(H,18,21)
InChIKeyWGEOQYKTZMOKDY-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.15
Rot. Bonds5

About 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide

6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133339646) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133339646
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nn1
InChIInChI=1S/C15H13ClN6O2/c1-17-15(23)11-5-6-12(21-20-11)18-8-13-19-14(22-24-13)9-3-2-4-10(16)7-9/h2-7H,8H2,1H3,(H,17,23)(H,18,21)
InChIKeyWGEOQYKTZMOKDY-UHFFFAOYSA-N
XLogP2.15
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 65263615
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339647
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-methylpyridazine-3-carboxamide
CID 133464990
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanehydrazide
CID 67071022
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 120562932
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100540250
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide (CID 133339646) is 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nn1.
What is the InChIKey of 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is WGEOQYKTZMOKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-17-15(23)11-5-6-12(21-20-11)18-8-13-19-14(22-24-13)9-3-2-4-10(16)7-9/h2-7H,8H2,1H3,(H,17,23)(H,18,21).
What are the key properties of 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide?
6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 344.76 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133339646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).