2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide

C29H40N4O4S — CID 167574392

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide (PubChem CID 167574392) has the molecular formula C29H40N4O4S and a molecular weight of 540.73 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 167574392
• Molecular Formula: C29H40N4O4S
• Molecular Weight: 540.73 g/mol
• Exact Mass: 540.28
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide
• SMILES: CC1(CS(=O)(=O)c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)CCC1
• InChI: InChI=1S/C29H40N4O4S/c1-27(2,19-34)32-24-9-8-23(25(31-24)33-16-14-29(12-13-29)15-17-33)26(35)30-21-6-4-7-22(18-21)38(36,37)20-28(3)10-5-11-28/h4,6-9,18,34H,5,10-17,19-20H2,1-3H3,(H,30,35)(H,31,32)
• InChIKey: GIEODALOQMWCKF-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 111.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.73
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide (CID 167574392) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide is CC1(CS(=O)(=O)c2cccc(NC(=O)c3ccc(NC(C)(C)CO)nc3N3CCC4(CC3)CC4)c2)CCC1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide?

The InChIKey is GIEODALOQMWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O4S/c1-27(2,19-34)32-24-9-8-23(25(31-24)33-16-14-29(12-13-29)15-17-33)26(35)30-21-6-4-7-22(18-21)38(36,37)20-28(3)10-5-11-28/h4,6-9,18,34H,5,10-17,19-20H2,1-3H3,(H,30,35)(H,31,32).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 540.73 g/mol, XLogP of 4.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-methylcyclobutyl)methylsulfonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 167574392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).