N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide

C18H22N4O4S — CID 31865595

IUPACN-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C18H22N4O4S/c1-21(2)27(24,25)16-5-3-4-15(12-16)20-18(23)14-6-7-17(19-13-14)22-8-10-26-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,23)
InChIKeyDOUAICMNNPGNIS-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.42
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 31865595) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID31865595
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C18H22N4O4S/c1-21(2)27(24,25)16-5-3-4-15(12-16)20-18(23)14-6-7-17(19-13-14)22-8-10-26-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,23)
InChIKeyDOUAICMNNPGNIS-UHFFFAOYSA-N
XLogP1.42
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
6-morpholin-4-yl-N-[3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 24788780
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
2-[[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354482
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42158243
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 31865595) is N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is DOUAICMNNPGNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-21(2)27(24,25)16-5-3-4-15(12-16)20-18(23)14-6-7-17(19-13-14)22-8-10-26-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 31865595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).