N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide

C13H16N4O4S — CID 122152097

IUPACN-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NC)nc2)o1
InChIInChI=1S/C13H16N4O4S/c1-3-11-15-7-10(21-11)8-17-13(18)9-4-5-12(16-6-9)22(19,20)14-2/h4-7,14H,3,8H2,1-2H3,(H,17,18)
InChIKeySVOSPGSNVZFTJU-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.47
Rot. Bonds6

About N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide

N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (PubChem CID 122152097) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
PubChem CID122152097
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NC)nc2)o1
InChIInChI=1S/C13H16N4O4S/c1-3-11-15-7-10(21-11)8-17-13(18)9-4-5-12(16-6-9)22(19,20)14-2/h4-7,14H,3,8H2,1-2H3,(H,17,18)
InChIKeySVOSPGSNVZFTJU-UHFFFAOYSA-N
XLogP0.47
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 103737126
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 106370659
2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106370703
2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106388124
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 108412811
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 113356985
N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide
CID 140582744
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 146500993
1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide
CID 146501001
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 146501006
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 146501062
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 71865325

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (CID 122152097) is N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is CCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NC)nc2)o1.
What is the InChIKey of N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The InChIKey is SVOSPGSNVZFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-3-11-15-7-10(21-11)8-17-13(18)9-4-5-12(16-6-9)22(19,20)14-2/h4-7,14H,3,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-oxazol-5-yl)methyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is sourced from PubChem (CID 122152097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).