6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide

C18H21N3O4S — CID 91904372

IUPAC6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(N)=O)cn3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-2-5-16(6-3-13)26(23,24)21-10-8-15(9-11-21)25-17-7-4-14(12-20-17)18(19)22/h2-7,12,15H,8-11H2,1H3,(H2,19,22)
InChIKeyKGUSRHZSAXWBSO-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.72
Rot. Bonds5

About 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide

6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 91904372) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID91904372
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(N)=O)cn3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-2-5-16(6-3-13)26(23,24)21-10-8-15(9-11-21)25-17-7-4-14(12-20-17)18(19)22/h2-7,12,15H,8-11H2,1H3,(H2,19,22)
InChIKeyKGUSRHZSAXWBSO-UHFFFAOYSA-N
XLogP1.72
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide (CID 91904372) is 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(N)=O)cn3)CC2)cc1.
What is the InChIKey of 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is KGUSRHZSAXWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-2-5-16(6-3-13)26(23,24)21-10-8-15(9-11-21)25-17-7-4-14(12-20-17)18(19)22/h2-7,12,15H,8-11H2,1H3,(H2,19,22).
What are the key properties of 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91904372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).