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

C27H38N6O4S — CID 150510138

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C27H38N6O4S/c1-19-18-33(16-17-37-19)22-7-5-6-21(28-22)29-25(34)20-8-9-23(38(35,36)31-26(2,3)4)30-24(20)32-14-12-27(10-11-27)13-15-32/h5-9,19,31H,10-18H2,1-4H3,(H,28,29,34)/t19-/m1/s1
InChIKeyHZQOVFFRWWDTBN-LJQANCHMSA-N
MW542.71 g/mol
LogP3.41
Rot. Bonds6

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

2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 150510138) has the molecular formula C27H38N6O4S and a molecular weight of 542.71 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID150510138
Molecular FormulaC27H38N6O4S
Molecular Weight542.71 g/mol
Exact Mass542.27
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C27H38N6O4S/c1-19-18-33(16-17-37-19)22-7-5-6-21(28-22)29-25(34)20-8-9-23(38(35,36)31-26(2,3)4)30-24(20)32-14-12-27(10-11-27)13-15-32/h5-9,19,31H,10-18H2,1-4H3,(H,28,29,34)/t19-/m1/s1
InChIKeyHZQOVFFRWWDTBN-LJQANCHMSA-N
XLogP3.41
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.71
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 150510138) is 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is HZQOVFFRWWDTBN-LJQANCHMSA-N. The full InChI is InChI=1S/C27H38N6O4S/c1-19-18-33(16-17-37-19)22-7-5-6-21(28-22)29-25(34)20-8-9-23(38(35,36)31-26(2,3)4)30-24(20)32-14-12-27(10-11-27)13-15-32/h5-9,19,31H,10-18H2,1-4H3,(H,28,29,34)/t19-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 542.71 g/mol, XLogP of 3.41, 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)-6-(tert-butylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 150510138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).