N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride

C15H19Cl2N3O2 — CID 11573737

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@H]1CN2CCC1CC2)c1cnc2occc2c1
InChIInChI=1S/C15H17N3O2.2ClH/c19-14(12-7-11-3-6-20-15(11)16-8-12)17-13-9-18-4-1-10(13)2-5-18;;/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19);2*1H/t13-;;/m0../s1
InChIKeyXKSKLIXCLUPZMQ-GXKRWWSZSA-N
MW344.24 g/mol
LogP2.50
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 11573737) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID11573737
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@H]1CN2CCC1CC2)c1cnc2occc2c1
InChIInChI=1S/C15H17N3O2.2ClH/c19-14(12-7-11-3-6-20-15(11)16-8-12)17-13-9-18-4-1-10(13)2-5-18;;/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19);2*1H/t13-;;/m0../s1
InChIKeyXKSKLIXCLUPZMQ-GXKRWWSZSA-N
XLogP2.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromopyridine-3-carboxamide
CID 66464440
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62167795
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22046990
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]furo[2,3-c]pyridine-7-carboxamide
CID 90975786
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.2]octan-3-yl)furo[2,3-c]pyridine-2-carboxamide
CID 22047383
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
CID 66636410

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride (CID 11573737) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride is Cl.Cl.O=C(N[C@H]1CN2CCC1CC2)c1cnc2occc2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is XKSKLIXCLUPZMQ-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H17N3O2.2ClH/c19-14(12-7-11-3-6-20-15(11)16-8-12)17-13-9-18-4-1-10(13)2-5-18;;/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19);2*1H/t13-;;/m0../s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 344.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 11573737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).