N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide

C24H26N4O4S — CID 3618549

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccnc2)ccc1N1CCCCC1
InChIInChI=1S/C24H26N4O4S/c1-32-22-10-4-3-9-20(22)27-33(30,31)23-16-19(26-24(29)18-8-7-13-25-17-18)11-12-21(23)28-14-5-2-6-15-28/h3-4,7-13,16-17,27H,2,5-6,14-15H2,1H3,(H,26,29)
InChIKeyZQJXZFKBPDFCDC-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.13
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide (PubChem CID 3618549) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
PubChem CID3618549
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccnc2)ccc1N1CCCCC1
InChIInChI=1S/C24H26N4O4S/c1-32-22-10-4-3-9-20(22)27-33(30,31)23-16-19(26-24(29)18-8-7-13-25-17-18)11-12-21(23)28-14-5-2-6-15-28/h3-4,7-13,16-17,27H,2,5-6,14-15H2,1H3,(H,26,29)
InChIKeyZQJXZFKBPDFCDC-UHFFFAOYSA-N
XLogP4.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide (CID 3618549) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccnc2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide?
The InChIKey is ZQJXZFKBPDFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-32-22-10-4-3-9-20(22)27-33(30,31)23-16-19(26-24(29)18-8-7-13-25-17-18)11-12-21(23)28-14-5-2-6-15-28/h3-4,7-13,16-17,27H,2,5-6,14-15H2,1H3,(H,26,29).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3618549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).