3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide

C18H20N6O4S — CID 24747978

IUPAC3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1nc(C)c(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1C(=O)NN
InChIInChI=1S/C18H20N6O4S/c1-10-14(16(25)21-19)9-15(11(2)20-10)18-23-22-17(28-18)12-6-5-7-13(8-12)29(26,27)24(3)4/h5-9H,19H2,1-4H3,(H,21,25)
InChIKeyLRSOQTVQLVTDDZ-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.27
Rot. Bonds5

About 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide

3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 24747978) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID24747978
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC Name3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1nc(C)c(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1C(=O)NN
InChIInChI=1S/C18H20N6O4S/c1-10-14(16(25)21-19)9-15(11(2)20-10)18-23-22-17(28-18)12-6-5-7-13(8-12)29(26,27)24(3)4/h5-9H,19H2,1-4H3,(H,21,25)
InChIKeyLRSOQTVQLVTDDZ-UHFFFAOYSA-N
XLogP1.27
TPSA144.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylnicotinohydrazide
CID 5225704
{[3-(5-(3-Pyridyl)-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}piperidine
CID 1117979
3-(5-{3-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 1293454
2,6-Dimethyl-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carbohydrazide
CID 3600898
5-[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
CID 4860676
4-fluoro-N-methyl-3-[(3R)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 92558955
4-fluoro-N-methyl-3-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 92558956
2-(6-methyl-3-pyridinyl)-5-[(3R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 92558969
2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 92558970
2-(6-Methyl-3-pyridinyl)-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 110236015
4-fluoro-N-methyl-3-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 110236019
2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060666

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide (CID 24747978) is 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide is Cc1nc(C)c(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1C(=O)NN.
What is the InChIKey of 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LRSOQTVQLVTDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-10-14(16(25)21-19)9-15(11(2)20-10)18-23-22-17(28-18)12-6-5-7-13(8-12)29(26,27)24(3)4/h5-9H,19H2,1-4H3,(H,21,25).
What are the key properties of 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide?
3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 416.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(hydrazinecarbonyl)-2,6-dimethyl-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24747978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).