4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C25H34N6O5S — CID 146718259

About 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 146718259) has the molecular formula C25H34N6O5S and a molecular weight of 530.65 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 146718259
• Molecular Formula: C25H34N6O5S
• Molecular Weight: 530.65 g/mol
• Exact Mass: 530.23
• IUPAC Name: 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2cccc(NC(=O)c3cnc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1
• InChI: InChI=1S/C25H34N6O5S/c1-18-17-31(11-13-36-18)23-4-2-3-21(27-23)28-24(33)19-16-26-22(29-37(34,35)14-12-32)15-20(19)30-9-7-25(5-6-25)8-10-30/h2-4,15-16,18,32H,5-14,17H2,1H3,(H,26,29)(H,27,28,33)/t18-/m1/s1
• InChIKey: REJWWEFZLLYTQQ-GOSISDBHSA-N
• XLogP: 2.07
• TPSA: 136.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.65
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 146718259) is 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3cnc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)n2)CCO1.

What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is REJWWEFZLLYTQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H34N6O5S/c1-18-17-31(11-13-36-18)23-4-2-3-21(27-23)28-24(33)19-16-26-22(29-37(34,35)14-12-32)15-20(19)30-9-7-25(5-6-25)8-10-30/h2-4,15-16,18,32H,5-14,17H2,1H3,(H,26,29)(H,27,28,33)/t18-/m1/s1.

What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 146718259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).