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6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide

C28H37N5O3S — CID 155781203

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H]4C[C@@H]43)nc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C28H37N5O3S/c1-27(2,3)31-37(35,36)21-6-4-5-20(18-21)29-26(34)22-7-8-24(33-14-9-19-17-23(19)33)30-25(22)32-15-12-28(10-11-28)13-16-32/h4-8,18-19,23,31H,9-17H2,1-3H3,(H,29,34)/t19-,23+/m1/s1
InChIKeyCEFSRXWDTHVYEB-XXBNENTESA-N
MW523.70 g/mol
LogP4.39
Rot. Bonds6

About 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide

6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 155781203) has the molecular formula C28H37N5O3S and a molecular weight of 523.70 g/mol. Its IUPAC name is 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID155781203
Molecular FormulaC28H37N5O3S
Molecular Weight523.70 g/mol
Exact Mass523.26
IUPAC Name6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H]4C[C@@H]43)nc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C28H37N5O3S/c1-27(2,3)31-37(35,36)21-6-4-5-20(18-21)29-26(34)22-7-8-24(33-14-9-19-17-23(19)33)30-25(22)32-15-12-28(10-11-28)13-16-32/h4-8,18-19,23,31H,9-17H2,1-3H3,(H,29,34)/t19-,23+/m1/s1
InChIKeyCEFSRXWDTHVYEB-XXBNENTESA-N
XLogP4.39
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.70
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 155781203) is 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CC[C@@H]4C[C@@H]43)nc2N2CCC3(CC2)CC3)c1.
What is the InChIKey of 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CEFSRXWDTHVYEB-XXBNENTESA-N. The full InChI is InChI=1S/C28H37N5O3S/c1-27(2,3)31-37(35,36)21-6-4-5-20(18-21)29-26(34)22-7-8-24(33-14-9-19-17-23(19)33)30-25(22)32-15-12-28(10-11-28)13-16-32/h4-8,18-19,23,31H,9-17H2,1-3H3,(H,29,34)/t19-,23+/m1/s1.
What are the key properties of 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 523.70 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155781203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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