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

C22H25N3O — CID 91218396

IUPAC(3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
SMILESC(=Cc1ccccc1)CNc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2
InChIInChI=1S/C22H25N3O/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/h1-7,13,15,19,23H,8-12,14,16H2/t22-/m0/s1
InChIKeyTXYIUCBTNTTXAH-QFIPXVFZSA-N
MW347.46 g/mol
LogP3.61
Rot. Bonds4

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

(3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine (PubChem CID 91218396) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-N-(3-phenylprop-2-enyl)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-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
PubChem CID91218396
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
SMILESC(=Cc1ccccc1)CNc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2
InChIInChI=1S/C22H25N3O/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/h1-7,13,15,19,23H,8-12,14,16H2/t22-/m0/s1
InChIKeyTXYIUCBTNTTXAH-QFIPXVFZSA-N
XLogP3.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
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'-(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
(3R)-N-(5-phenyl-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088139
N-[(E)-3-phenylprop-2-enyl]-3H-benzimidazol-5-amine
CID 86579992
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
2-(4-hydroxypiperidin-1-yl)-5-(3-phenylprop-2-enylamino)benzonitrile
CID 111469512
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-phenylprop-2-enyl)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-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine (CID 91218396) is (3R)-N-(3-phenylprop-2-enyl)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-2-enyl)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-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine is C(=Cc1ccccc1)CNc1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2.
What is the InChIKey of (3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The InChIKey is TXYIUCBTNTTXAH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O/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/h1-7,13,15,19,23H,8-12,14,16H2/t22-/m0/s1.
What are the key properties of (3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
(3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine has a molecular weight of 347.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-phenylprop-2-enyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine is sourced from PubChem (CID 91218396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).