N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide

C17H15N5O4S — CID 2971010

IUPACN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)ncn1
InChIInChI=1S/C17H15N5O4S/c1-26-16-9-15(19-11-20-16)22-27(24,25)14-6-4-13(5-7-14)21-17(23)12-3-2-8-18-10-12/h2-11H,1H3,(H,21,23)(H,19,20,22)
InChIKeyVMNSUFWBNHMNOS-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.93
Rot. Bonds6

About N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide

N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 2971010) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID2971010
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC NameN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)ncn1
InChIInChI=1S/C17H15N5O4S/c1-26-16-9-15(19-11-20-16)22-27(24,25)14-6-4-13(5-7-14)21-17(23)12-3-2-8-18-10-12/h2-11H,1H3,(H,21,23)(H,19,20,22)
InChIKeyVMNSUFWBNHMNOS-UHFFFAOYSA-N
XLogP1.93
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 2971010) is N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)ncn1.
What is the InChIKey of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VMNSUFWBNHMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-26-16-9-15(19-11-20-16)22-27(24,25)14-6-4-13(5-7-14)21-17(23)12-3-2-8-18-10-12/h2-11H,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide?
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2971010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).