N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide

C16H19N3O2S — CID 22046990

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
SMILESCSc1nc(C(=O)NC2CN3CCC2CC3)cc2ccoc12
InChIInChI=1S/C16H19N3O2S/c1-22-16-14-11(4-7-21-14)8-12(18-16)15(20)17-13-9-19-5-2-10(13)3-6-19/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,17,20)
InChIKeyPMBMLDIMMGCKRB-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.37
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide (PubChem CID 22046990) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
PubChem CID22046990
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
SMILESCSc1nc(C(=O)NC2CN3CCC2CC3)cc2ccoc12
InChIInChI=1S/C16H19N3O2S/c1-22-16-14-11(4-7-21-14)8-12(18-16)15(20)17-13-9-19-5-2-10(13)3-6-19/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,17,20)
InChIKeyPMBMLDIMMGCKRB-UHFFFAOYSA-N
XLogP2.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
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-b]pyridine-5-carboxamide;dihydrochloride
CID 11573737
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-(dimethylamino)-6-methylpyrimidine-4-carboxamide
CID 91948681
N-(1-azabicyclo[3.2.1]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
CID 22389458
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
CID 121413614
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-fluoropyridine-2-carboxamide
CID 22243337
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-fluoropyridine-2-carboxamide
CID 22243459
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide (CID 22046990) is N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide is CSc1nc(C(=O)NC2CN3CCC2CC3)cc2ccoc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is PMBMLDIMMGCKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-22-16-14-11(4-7-21-14)8-12(18-16)15(20)17-13-9-19-5-2-10(13)3-6-19/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,17,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22046990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).