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

C23H30N6O4S — CID 150918268

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C23H30N6O4S/c1-16-15-29(13-14-33-16)19-4-2-3-18(25-19)26-22(30)17-5-6-20(34(24,31)32)27-21(17)28-11-9-23(7-8-23)10-12-28/h2-6,16H,7-15H2,1H3,(H2,24,31,32)(H,25,26,30)/t16-/m1/s1
InChIKeyLDLVGLGTFOIFGC-MRXNPFEDSA-N
MW486.60 g/mol
LogP1.98
Rot. Bonds5

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

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide (PubChem CID 150918268) has the molecular formula C23H30N6O4S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide
PubChem CID150918268
Molecular FormulaC23H30N6O4S
Molecular Weight486.60 g/mol
Exact Mass486.20
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C23H30N6O4S/c1-16-15-29(13-14-33-16)19-4-2-3-18(25-19)26-22(30)17-5-6-20(34(24,31)32)27-21(17)28-11-9-23(7-8-23)10-12-28/h2-6,16H,7-15H2,1H3,(H2,24,31,32)(H,25,26,30)/t16-/m1/s1
InChIKeyLDLVGLGTFOIFGC-MRXNPFEDSA-N
XLogP1.98
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 51.98
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)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide (CID 150918268) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-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-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide?
The InChIKey is LDLVGLGTFOIFGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30N6O4S/c1-16-15-29(13-14-33-16)19-4-2-3-18(25-19)26-22(30)17-5-6-20(34(24,31)32)27-21(17)28-11-9-23(7-8-23)10-12-28/h2-6,16H,7-15H2,1H3,(H2,24,31,32)(H,25,26,30)/t16-/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-sulfamoylpyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-sulfamoylpyridine-3-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 1.98, 5 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-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 150918268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).