N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

C15H17N3O3 — CID 146035732

IUPACN-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@H]1C[N+]2([O-])CCC1CC2)c1cc2ccoc2cn1
InChIInChI=1S/C15H17N3O3/c19-15(12-7-11-3-6-21-14(11)8-16-12)17-13-9-18(20)4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t10?,13-,18?/m0/s1
InChIKeyPZHMSMZUPNXYMC-GHIVCGBISA-N
MW287.32 g/mol
LogP1.66
Rot. Bonds2

About N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide (PubChem CID 146035732) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
PubChem CID146035732
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@H]1C[N+]2([O-])CCC1CC2)c1cc2ccoc2cn1
InChIInChI=1S/C15H17N3O3/c19-15(12-7-11-3-6-21-14(11)8-16-12)17-13-9-18(20)4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t10?,13-,18?/m0/s1
InChIKeyPZHMSMZUPNXYMC-GHIVCGBISA-N
XLogP1.66
TPSA78.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
2-furo[2,3-c]pyridin-5-yl-2-oxoacetamide
CID 171482687
N-decyl-1-azabicyclo[2.2.2]octan-3-amine;furo[2,3-c]pyridine-5-carboxylic acid
CID 159227536
2-amino-1-furo[2,3-c]pyridin-5-ylethanone
CID 84767089
[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone
CID 163666667
2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone
CID 160643718
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride
CID 11573737

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide (CID 146035732) is N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide is O=C(N[C@H]1C[N+]2([O-])CCC1CC2)c1cc2ccoc2cn1.
What is the InChIKey of N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is PZHMSMZUPNXYMC-GHIVCGBISA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(12-7-11-3-6-21-14(11)8-16-12)17-13-9-18(20)4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t10?,13-,18?/m0/s1.
What are the key properties of N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide?
N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 146035732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).