N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide

C18H17N5O3S — CID 1136868

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)nc(C)n1
InChIInChI=1S/C18H17N5O3S/c1-12-10-17(21-13(2)20-12)23-27(25,26)16-7-5-15(6-8-16)22-18(24)14-4-3-9-19-11-14/h3-11H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyCNQWHBAIAOQABO-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.54
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 1136868) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID1136868
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)nc(C)n1
InChIInChI=1S/C18H17N5O3S/c1-12-10-17(21-13(2)20-12)23-27(25,26)16-7-5-15(6-8-16)22-18(24)14-4-3-9-19-11-14/h3-11H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyCNQWHBAIAOQABO-UHFFFAOYSA-N
XLogP2.54
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 1136868) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is CNQWHBAIAOQABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-12-10-17(21-13(2)20-12)23-27(25,26)16-7-5-15(6-8-16)22-18(24)14-4-3-9-19-11-14/h3-11H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1136868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).