N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

C16H13N5O3S — CID 1084475

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccnc1
InChIInChI=1S/C16H13N5O3S/c22-15(12-3-1-8-17-11-12)20-13-4-6-14(7-5-13)25(23,24)21-16-18-9-2-10-19-16/h1-11H,(H,20,22)(H,18,19,21)
InChIKeyXPRKTJXRGMLVFX-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.92
Rot. Bonds5

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 1084475) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID1084475
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccnc1
InChIInChI=1S/C16H13N5O3S/c22-15(12-3-1-8-17-11-12)20-13-4-6-14(7-5-13)25(23,24)21-16-18-9-2-10-19-16/h1-11H,(H,20,22)(H,18,19,21)
InChIKeyXPRKTJXRGMLVFX-UHFFFAOYSA-N
XLogP1.92
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 1084475) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XPRKTJXRGMLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c22-15(12-3-1-8-17-11-12)20-13-4-6-14(7-5-13)25(23,24)21-16-18-9-2-10-19-16/h1-11H,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1084475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).