6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide

C18H20FN3O5S — CID 91904370

IUPAC6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C18H20FN3O5S/c1-26-15-4-3-13(19)10-16(15)28(24,25)22-8-6-14(7-9-22)27-17-5-2-12(11-21-17)18(20)23/h2-5,10-11,14H,6-9H2,1H3,(H2,20,23)
InChIKeyBNONNOHCADMNTE-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.56
Rot. Bonds6

About 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide

6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 91904370) has the molecular formula C18H20FN3O5S and a molecular weight of 409.44 g/mol. Its IUPAC name is 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID91904370
Molecular FormulaC18H20FN3O5S
Molecular Weight409.44 g/mol
Exact Mass409.11
IUPAC Name6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C18H20FN3O5S/c1-26-15-4-3-13(19)10-16(15)28(24,25)22-8-6-14(7-9-22)27-17-5-2-12(11-21-17)18(20)23/h2-5,10-11,14H,6-9H2,1H3,(H2,20,23)
InChIKeyBNONNOHCADMNTE-UHFFFAOYSA-N
XLogP1.56
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide (CID 91904370) is 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide is COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(C(N)=O)cn2)CC1.
What is the InChIKey of 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is BNONNOHCADMNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S/c1-26-15-4-3-13(19)10-16(15)28(24,25)22-8-6-14(7-9-22)27-17-5-2-12(11-21-17)18(20)23/h2-5,10-11,14H,6-9H2,1H3,(H2,20,23).
What are the key properties of 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91904370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).