2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide

C28H36F3N5O5S — CID 154942405

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(C(F)(F)F)COC(C)(C)O3)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H36F3N5O5S/c1-24(2,3)35-42(38,39)21-8-6-7-20(33-21)34-23(37)18-9-10-19(27(28(29,30)31)17-40-25(4,5)41-27)32-22(18)36-15-13-26(11-12-26)14-16-36/h6-10,35H,11-17H2,1-5H3,(H,33,34,37)
InChIKeyQXDPJIUNOVVORV-UHFFFAOYSA-N
MW611.69 g/mol
LogP4.73
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide (PubChem CID 154942405) has the molecular formula C28H36F3N5O5S and a molecular weight of 611.69 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide
PubChem CID154942405
Molecular FormulaC28H36F3N5O5S
Molecular Weight611.69 g/mol
Exact Mass611.24
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(C(F)(F)F)COC(C)(C)O3)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H36F3N5O5S/c1-24(2,3)35-42(38,39)21-8-6-7-20(33-21)34-23(37)18-9-10-19(27(28(29,30)31)17-40-25(4,5)41-27)32-22(18)36-15-13-26(11-12-26)14-16-36/h6-10,35H,11-17H2,1-5H3,(H,33,34,37)
InChIKeyQXDPJIUNOVVORV-UHFFFAOYSA-N
XLogP4.73
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.69
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide (CID 154942405) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(C(F)(F)F)COC(C)(C)O3)nc2N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide?
The InChIKey is QXDPJIUNOVVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F3N5O5S/c1-24(2,3)35-42(38,39)21-8-6-7-20(33-21)34-23(37)18-9-10-19(27(28(29,30)31)17-40-25(4,5)41-27)32-22(18)36-15-13-26(11-12-26)14-16-36/h6-10,35H,11-17H2,1-5H3,(H,33,34,37).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide has a molecular weight of 611.69 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154942405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).