5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide

C18H15Cl2N5O3S — CID 2365415

IUPAC5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)nc(C)n1
InChIInChI=1S/C18H15Cl2N5O3S/c1-10-7-16(23-11(2)22-10)25-29(27,28)14-5-3-13(4-6-14)24-18(26)12-8-15(19)17(20)21-9-12/h3-9H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyOGRNDADGQCHHCG-UHFFFAOYSA-N
MW452.32 g/mol
LogP3.85
Rot. Bonds5

About 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 2365415) has the molecular formula C18H15Cl2N5O3S and a molecular weight of 452.32 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID2365415
Molecular FormulaC18H15Cl2N5O3S
Molecular Weight452.32 g/mol
Exact Mass451.03
IUPAC Name5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)nc(C)n1
InChIInChI=1S/C18H15Cl2N5O3S/c1-10-7-16(23-11(2)22-10)25-29(27,28)14-5-3-13(4-6-14)24-18(26)12-8-15(19)17(20)21-9-12/h3-9H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyOGRNDADGQCHHCG-UHFFFAOYSA-N
XLogP3.85
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 2365415) is 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)nc(C)n1.
What is the InChIKey of 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is OGRNDADGQCHHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O3S/c1-10-7-16(23-11(2)22-10)25-29(27,28)14-5-3-13(4-6-14)24-18(26)12-8-15(19)17(20)21-9-12/h3-9H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 452.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2365415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).