N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C24H25N3O5S — CID 55755898

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H25N3O5S/c1-32-21-13-10-18(16-22(21)33(30,31)27-14-6-3-7-15-27)25-23(28)19-11-12-20(26-24(19)29)17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJOXMANWPVCEYRB-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.48
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55755898) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55755898
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H25N3O5S/c1-32-21-13-10-18(16-22(21)33(30,31)27-14-6-3-7-15-27)25-23(28)19-11-12-20(26-24(19)29)17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJOXMANWPVCEYRB-UHFFFAOYSA-N
XLogP3.48
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55755898) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is JOXMANWPVCEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-32-21-13-10-18(16-22(21)33(30,31)27-14-6-3-7-15-27)25-23(28)19-11-12-20(26-24(19)29)17-8-4-2-5-9-17/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55755898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).