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

C19H22N4O — CID 11738788

IUPAC(3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
SMILESc1cncc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1
InChIInChI=1S/C19H22N4O/c1-2-14(10-20-5-1)11-21-17-8-15-9-19(24-18(15)22-12-17)13-23-6-3-16(19)4-7-23/h1-2,5,8,10,12,16,21H,3-4,6-7,9,11,13H2/t19-/m0/s1
InChIKeyQYYVTUDQOZKIJO-IBGZPJMESA-N
MW322.41 g/mol
LogP2.49
Rot. Bonds3

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

(3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine (PubChem CID 11738788) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine.

Molecular Properties

Compound Name(3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
PubChem CID11738788
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
SMILESc1cncc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1
InChIInChI=1S/C19H22N4O/c1-2-14(10-20-5-1)11-21-17-8-15-9-19(24-18(15)22-12-17)13-23-6-3-16(19)4-7-23/h1-2,5,8,10,12,16,21H,3-4,6-7,9,11,13H2/t19-/m0/s1
InChIKeyQYYVTUDQOZKIJO-IBGZPJMESA-N
XLogP2.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The IUPAC name of (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine (CID 11738788) is (3R)-N-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The canonical SMILES for (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine is c1cncc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1.
What is the InChIKey of (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
The InChIKey is QYYVTUDQOZKIJO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-14(10-20-5-1)11-21-17-8-15-9-19(24-18(15)22-12-17)13-23-6-3-16(19)4-7-23/h1-2,5,8,10,12,16,21H,3-4,6-7,9,11,13H2/t19-/m0/s1.
What are the key properties of (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine?
(3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine has a molecular weight of 322.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine is sourced from PubChem (CID 11738788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).