6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide

C16H13N5O4S — CID 2121261

IUPAC6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H13N5O4S/c22-14-7-2-11(10-19-14)15(23)20-12-3-5-13(6-4-12)26(24,25)21-16-17-8-1-9-18-16/h1-10H,(H,19,22)(H,20,23)(H,17,18,21)
InChIKeyMRQALWUUEIPDFO-UHFFFAOYSA-N
MW371.38 g/mol
LogP1.22
Rot. Bonds5

About 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide

6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 2121261) has the molecular formula C16H13N5O4S and a molecular weight of 371.38 g/mol. Its IUPAC name is 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID2121261
Molecular FormulaC16H13N5O4S
Molecular Weight371.38 g/mol
Exact Mass371.07
IUPAC Name6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H13N5O4S/c22-14-7-2-11(10-19-14)15(23)20-12-3-5-13(6-4-12)26(24,25)21-16-17-8-1-9-18-16/h1-10H,(H,19,22)(H,20,23)(H,17,18,21)
InChIKeyMRQALWUUEIPDFO-UHFFFAOYSA-N
XLogP1.22
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1164335
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide (CID 2121261) is 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is MRQALWUUEIPDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4S/c22-14-7-2-11(10-19-14)15(23)20-12-3-5-13(6-4-12)26(24,25)21-16-17-8-1-9-18-16/h1-10H,(H,19,22)(H,20,23)(H,17,18,21).
What are the key properties of 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2121261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).