5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide

C17H20N4O4 — CID 164751101

IUPAC5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)OCC2CC23)c1
InChIInChI=1S/C17H20N4O4/c18-14(22)10-5-12(8-19-7-10)20-15(23)16(24)21-3-1-17(2-4-21)13-6-11(13)9-25-17/h5,7-8,11,13H,1-4,6,9H2,(H2,18,22)(H,20,23)
InChIKeyMPCXZYOFNYKMEL-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.15
Rot. Bonds2

About 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide

5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide (PubChem CID 164751101) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide
PubChem CID164751101
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)OCC2CC23)c1
InChIInChI=1S/C17H20N4O4/c18-14(22)10-5-12(8-19-7-10)20-15(23)16(24)21-3-1-17(2-4-21)13-6-11(13)9-25-17/h5,7-8,11,13H,1-4,6,9H2,(H2,18,22)(H,20,23)
InChIKeyMPCXZYOFNYKMEL-UHFFFAOYSA-N
XLogP0.15
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide (CID 164751101) is 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2CCC3(CC2)OCC2CC23)c1.
What is the InChIKey of 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide?
The InChIKey is MPCXZYOFNYKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c18-14(22)10-5-12(8-19-7-10)20-15(23)16(24)21-3-1-17(2-4-21)13-6-11(13)9-25-17/h5,7-8,11,13H,1-4,6,9H2,(H2,18,22)(H,20,23).
What are the key properties of 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide?
5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-2-spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-1'-ylacetyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 164751101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).