(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine

C22H23N3O — CID 23595086

IUPAC(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
SMILESC(#CNc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2)Cc1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-5-17(6-3-1)7-4-10-23-20-13-18-14-22(26-21(18)24-15-20)16-25-11-8-19(22)9-12-25/h1-3,5-6,13,15,19,23H,7-9,11-12,14,16H2/t22-/m0/s1
InChIKeyUTTAWJTWNILILN-QFIPXVFZSA-N
MW345.45 g/mol
LogP3.10
Rot. Bonds2

About (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine

(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine (PubChem CID 23595086) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine.

Molecular Properties

Compound Name(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
PubChem CID23595086
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
SMILESC(#CNc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2)Cc1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-5-17(6-3-1)7-4-10-23-20-13-18-14-22(26-21(18)24-15-20)16-25-11-8-19(22)9-12-25/h1-3,5-6,13,15,19,23H,7-9,11-12,14,16H2/t22-/m0/s1
InChIKeyUTTAWJTWNILILN-QFIPXVFZSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-ylurea
CID 10020783
(3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 91218396
3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol
CID 23595083
N-benzyl-N-(111C)methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 11279070
(3R)-5'-(1-phenylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 69065195
(3R)-5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11483685
(3R)-5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 58925144
5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]furan-2-carbaldehyde
CID 59560532
(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10215687
(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11439014
(3R)-5'-(5-chlorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246215
(3R)-5'-[5-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)thiophen-2-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 67220859

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The IUPAC name of (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine (CID 23595086) is (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine.
What is the SMILES notation for (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The canonical SMILES for (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine is C(#CNc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2)Cc1ccccc1.
What is the InChIKey of (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The InChIKey is UTTAWJTWNILILN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-5-17(6-3-1)7-4-10-23-20-13-18-14-22(26-21(18)24-15-20)16-25-11-8-19(22)9-12-25/h1-3,5-6,13,15,19,23H,7-9,11-12,14,16H2/t22-/m0/s1.
What are the key properties of (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine has a molecular weight of 345.45 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine is sourced from PubChem (CID 23595086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).