N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide

C17H18FN3O2 — CID 18180860

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccnc(F)c2)o1
InChIInChI=1S/C17H18FN3O2/c18-16-9-12(3-6-19-16)14-1-2-15(23-14)17(22)20-13-10-21-7-4-11(13)5-8-21/h1-3,6,9,11,13H,4-5,7-8,10H2,(H,20,22)
InChIKeyQJVYIDQCLFRGNG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.30
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide (PubChem CID 18180860) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide
PubChem CID18180860
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccnc(F)c2)o1
InChIInChI=1S/C17H18FN3O2/c18-16-9-12(3-6-19-16)14-1-2-15(23-14)17(22)20-13-10-21-7-4-11(13)5-8-21/h1-3,6,9,11,13H,4-5,7-8,10H2,(H,20,22)
InChIKeyQJVYIDQCLFRGNG-UHFFFAOYSA-N
XLogP2.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide (CID 18180860) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2ccnc(F)c2)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide?
The InChIKey is QJVYIDQCLFRGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-16-9-12(3-6-19-16)14-1-2-15(23-14)17(22)20-13-10-21-7-4-11(13)5-8-21/h1-3,6,9,11,13H,4-5,7-8,10H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 18180860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).