2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide

C25H32F3N5O5S — CID 154942420

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 154942420) has the molecular formula C25H32F3N5O5S and a molecular weight of 571.62 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 154942420
• Molecular Formula: C25H32F3N5O5S
• Molecular Weight: 571.62 g/mol
• Exact Mass: 571.21
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1
• InChI: InChI=1S/C25H32F3N5O5S/c1-22(2,3)32-39(37,38)19-6-4-5-18(30-19)31-21(35)16-7-8-17(24(36,15-34)25(26,27)28)29-20(16)33-13-11-23(9-10-23)12-14-33/h4-8,32,34,36H,9-15H2,1-3H3,(H,30,31,35)/t24-/m0/s1
• InChIKey: ZYRMMCJZPJZNTL-DEOSSOPVSA-N
• XLogP: 2.93
• TPSA: 144.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.62
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide (CID 154942420) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-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-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

The InChIKey is ZYRMMCJZPJZNTL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H32F3N5O5S/c1-22(2,3)32-39(37,38)19-6-4-5-18(30-19)31-21(35)16-7-8-17(24(36,15-34)25(26,27)28)29-20(16)33-13-11-23(9-10-23)12-14-33/h4-8,32,34,36H,9-15H2,1-3H3,(H,30,31,35)/t24-/m0/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 571.62 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 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-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154942420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).