N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide

C10H10N4O4S — CID 9188441

IUPACN-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1nnc(CNC(=O)c2ccccn2)o1
InChIInChI=1S/C10H10N4O4S/c1-19(16,17)10-14-13-8(18-10)6-12-9(15)7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,12,15)
InChIKeyBQUNXAFNWUDQEU-UHFFFAOYSA-N
MW282.28 g/mol
LogP-0.20
Rot. Bonds4

About N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide

N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 9188441) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID9188441
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC NameN-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1nnc(CNC(=O)c2ccccn2)o1
InChIInChI=1S/C10H10N4O4S/c1-19(16,17)10-14-13-8(18-10)6-12-9(15)7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,12,15)
InChIKeyBQUNXAFNWUDQEU-UHFFFAOYSA-N
XLogP-0.20
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540
2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 9188433
N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
CID 9190388
(E)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 9188470
N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
CID 9185553
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
CID 110742443
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-methylsulfonylpyridine-2-carboxamide
CID 14952705
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide (CID 9188441) is N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide is CS(=O)(=O)c1nnc(CNC(=O)c2ccccn2)o1.
What is the InChIKey of N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BQUNXAFNWUDQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-19(16,17)10-14-13-8(18-10)6-12-9(15)7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,12,15).
What are the key properties of N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide?
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 282.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 9188441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).