N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide

C17H18N4O4S — CID 25475278

IUPACN,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide
SMILESCc1ccc(-c2noc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)n2)cc1
InChIInChI=1S/C17H18N4O4S/c1-12-4-6-13(7-5-12)17-18-15(25-19-17)11-21-10-14(8-9-16(21)22)26(23,24)20(2)3/h4-10H,11H2,1-3H3
InChIKeyOSIJVASGPRMGBL-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.51
Rot. Bonds5

About N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 25475278) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide
PubChem CID25475278
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide
SMILESCc1ccc(-c2noc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)n2)cc1
InChIInChI=1S/C17H18N4O4S/c1-12-4-6-13(7-5-12)17-18-15(25-19-17)11-21-10-14(8-9-16(21)22)26(23,24)20(2)3/h4-10H,11H2,1-3H3
InChIKeyOSIJVASGPRMGBL-UHFFFAOYSA-N
XLogP1.51
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide with MolForge

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Related Compounds

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 7893131
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
1-[(3R,4R)-4-hydroxy-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702513
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 24687028
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 8012203
N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 24607704
4-fluoro-N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 100696977
4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 17078760
N,N-diethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26567307
N,3,5-trimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94872741
6-(4-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077269

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide (CID 25475278) is N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide is Cc1ccc(-c2noc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)n2)cc1.
What is the InChIKey of N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is OSIJVASGPRMGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-12-4-6-13(7-5-12)17-18-15(25-19-17)11-21-10-14(8-9-16(21)22)26(23,24)20(2)3/h4-10H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 25475278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).