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

C24H32N6O4S — CID 150782752

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C24H32N6O4S/c1-17-16-30(14-15-34-17)20-5-3-4-19(26-20)27-23(31)18-6-7-21(35(32,33)25-2)28-22(18)29-12-10-24(8-9-24)11-13-29/h3-7,17,25H,8-16H2,1-2H3,(H,26,27,31)/t17-/m1/s1
InChIKeyKCFMGHZRLCURQI-QGZVFWFLSA-N
MW500.63 g/mol
LogP2.24
Rot. Bonds6

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

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (PubChem CID 150782752) has the molecular formula C24H32N6O4S and a molecular weight of 500.63 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
PubChem CID150782752
Molecular FormulaC24H32N6O4S
Molecular Weight500.63 g/mol
Exact Mass500.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C24H32N6O4S/c1-17-16-30(14-15-34-17)20-5-3-4-19(26-20)27-23(31)18-6-7-21(35(32,33)25-2)28-22(18)29-12-10-24(8-9-24)11-13-29/h3-7,17,25H,8-16H2,1-2H3,(H,26,27,31)/t17-/m1/s1
InChIKeyKCFMGHZRLCURQI-QGZVFWFLSA-N
XLogP2.24
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.63
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (CID 150782752) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The InChIKey is KCFMGHZRLCURQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H32N6O4S/c1-17-16-30(14-15-34-17)20-5-3-4-19(26-20)27-23(31)18-6-7-21(35(32,33)25-2)28-22(18)29-12-10-24(8-9-24)11-13-29/h3-7,17,25H,8-16H2,1-2H3,(H,26,27,31)/t17-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide has a molecular weight of 500.63 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 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-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is sourced from PubChem (CID 150782752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).