5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide

C26H29N5O6S — CID 162425318

IUPAC5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(C(N)=O)nc3)CC2)c(Oc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C26H29N5O6S/c1-30(2)38(33,34)21-14-24(37-19-4-6-23-17(13-19)9-12-35-23)26(29-16-21)31-10-7-18(8-11-31)36-20-3-5-22(25(27)32)28-15-20/h3-6,13-16,18H,7-12H2,1-2H3,(H2,27,32)
InChIKeyJHUDAYSGCREQEI-UHFFFAOYSA-N
MW539.61 g/mol
LogP2.60
Rot. Bonds8

About 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide

5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 162425318) has the molecular formula C26H29N5O6S and a molecular weight of 539.61 g/mol. Its IUPAC name is 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID162425318
Molecular FormulaC26H29N5O6S
Molecular Weight539.61 g/mol
Exact Mass539.18
IUPAC Name5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(C(N)=O)nc3)CC2)c(Oc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C26H29N5O6S/c1-30(2)38(33,34)21-14-24(37-19-4-6-23-17(13-19)9-12-35-23)26(29-16-21)31-10-7-18(8-11-31)36-20-3-5-22(25(27)32)28-15-20/h3-6,13-16,18H,7-12H2,1-2H3,(H2,27,32)
InChIKeyJHUDAYSGCREQEI-UHFFFAOYSA-N
XLogP2.60
TPSA137.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 177019887
4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918
2-(2,3-dihydro-1-benzofuran-5-yloxy)pyridine-3-carboxamide
CID 141060321
2,3-dihydro-1-benzofuran-5-yl sulfamate
CID 154276284
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide
CID 136990869
4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidine
CID 84684730
5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 168940240
(Z)-1-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-3-(1H-imidazol-2-yl)-2-methylbut-2-en-1-imine
CID 177020064
N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 176502937
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one
CID 178171859

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 162425318) is 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide is CN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(C(N)=O)nc3)CC2)c(Oc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is JHUDAYSGCREQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O6S/c1-30(2)38(33,34)21-14-24(37-19-4-6-23-17(13-19)9-12-35-23)26(29-16-21)31-10-7-18(8-11-31)36-20-3-5-22(25(27)32)28-15-20/h3-6,13-16,18H,7-12H2,1-2H3,(H2,27,32).
What are the key properties of 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide?
5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 539.61 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(dimethylsulfamoyl)-2-pyridinyl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 162425318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).