2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

C27H40N6O4S — CID 147390262

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 147390262) has the molecular formula C27H40N6O4S and a molecular weight of 544.72 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
• PubChem CID: 147390262
• Molecular Formula: C27H40N6O4S
• Molecular Weight: 544.72 g/mol
• Exact Mass: 544.28
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(S(=O)(=O)NC(C)(C)C)c1
• InChI: InChI=1S/C27H40N6O4S/c1-18-15-21(28-22(16-18)38(36,37)32-25(2,3)4)30-24(35)19-7-8-20(31-26(5,6)17-34)29-23(19)33-13-11-27(9-10-27)12-14-33/h7-8,15-16,32,34H,9-14,17H2,1-6H3,(H,29,31)(H,28,30,35)
• InChIKey: DMSKTOSIFHVDPI-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 136.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.72
LogP ≤ 5	3.68
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)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (CID 147390262) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(S(=O)(=O)NC(C)(C)C)c1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?

The InChIKey is DMSKTOSIFHVDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O4S/c1-18-15-21(28-22(16-18)38(36,37)32-25(2,3)4)30-24(35)19-7-8-20(31-26(5,6)17-34)29-23(19)33-13-11-27(9-10-27)12-14-33/h7-8,15-16,32,34H,9-14,17H2,1-6H3,(H,29,31)(H,28,30,35).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 544.72 g/mol, XLogP of 3.68, 8 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)-4-methyl-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 147390262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).