2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

C28H40N6O3 — CID 154962891

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 154962891) has the molecular formula C28H40N6O3 and a molecular weight of 508.67 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-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-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
• PubChem CID: 154962891
• Molecular Formula: C28H40N6O3
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.32
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
• SMILES: CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3(C)CO)n2)c(N2CCC3(CC2)CC3)n1
• InChI: InChI=1S/C28H40N6O3/c1-26(2,18-35)32-22-9-8-20(24(30-22)33-16-13-28(11-12-28)14-17-33)25(37)31-21-6-4-7-23(29-21)34-15-5-10-27(34,3)19-36/h4,6-9,35-36H,5,10-19H2,1-3H3,(H,30,32)(H,29,31,37)
• InChIKey: AGRNYEFOKSKNPE-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 113.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	3.64
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-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-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-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (CID 154962891) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-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-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-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-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3(C)CO)n2)c(N2CCC3(CC2)CC3)n1.

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

The InChIKey is AGRNYEFOKSKNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O3/c1-26(2,18-35)32-22-9-8-20(24(30-22)33-16-13-28(11-12-28)14-17-33)25(37)31-21-6-4-7-23(29-21)34-15-5-10-27(34,3)19-36/h4,6-9,35-36H,5,10-19H2,1-3H3,(H,30,32)(H,29,31,37).

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

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 3.64, 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-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 154962891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).