N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide

C17H19N3O2 — CID 121413925

IUPACN-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide
SMILESO=C(NC1N[C@@]12CC1CCC2CC1)c1ccc2occc2n1
InChIInChI=1S/C17H19N3O2/c21-15(13-5-6-14-12(18-13)7-8-22-14)19-16-17(20-16)9-10-1-3-11(17)4-2-10/h5-8,10-11,16,20H,1-4,9H2,(H,19,21)/t10?,11?,16?,17-/m1/s1
InChIKeyCTHKVNARXODASS-DUTCDRGVSA-N
MW297.36 g/mol
LogP2.44
Rot. Bonds2

About N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide

N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide (PubChem CID 121413925) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide
PubChem CID121413925
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide
SMILESO=C(NC1N[C@@]12CC1CCC2CC1)c1ccc2occc2n1
InChIInChI=1S/C17H19N3O2/c21-15(13-5-6-14-12(18-13)7-8-22-14)19-16-17(20-16)9-10-1-3-11(17)4-2-10/h5-8,10-11,16,20H,1-4,9H2,(H,19,21)/t10?,11?,16?,17-/m1/s1
InChIKeyCTHKVNARXODASS-DUTCDRGVSA-N
XLogP2.44
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride
CID 140827181
N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide
CID 166371759
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
N-(1-methylpiperidin-4-yl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 145497385
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 146035732
ethane;5-methylfuro[3,2-b]pyridine
CID 143292377
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
N-(4-methylpyrazolidin-3-yl)quinoline-2-carboxamide
CID 134068357
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxycyclopropyl)cyclohexyl]benzamide
CID 162519561
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide (CID 121413925) is N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide is O=C(NC1N[C@@]12CC1CCC2CC1)c1ccc2occc2n1.
What is the InChIKey of N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is CTHKVNARXODASS-DUTCDRGVSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15(13-5-6-14-12(18-13)7-8-22-14)19-16-17(20-16)9-10-1-3-11(17)4-2-10/h5-8,10-11,16,20H,1-4,9H2,(H,19,21)/t10?,11?,16?,17-/m1/s1.
What are the key properties of N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide?
N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 121413925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).