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

C17H21N3O2 — CID 91191836

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide
SMILESCCc1coc2c(C(=O)N[C@@H]3CN4CCC3CC4)nccc12
InChIInChI=1S/C17H21N3O2/c1-2-11-10-22-16-13(11)3-6-18-15(16)17(21)19-14-9-20-7-4-12(14)5-8-20/h3,6,10,12,14H,2,4-5,7-9H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyQQHLWJQORHQIMR-CQSZACIVSA-N
MW299.37 g/mol
LogP2.21
Rot. Bonds3

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

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide (PubChem CID 91191836) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide
PubChem CID91191836
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide
SMILESCCc1coc2c(C(=O)N[C@@H]3CN4CCC3CC4)nccc12
InChIInChI=1S/C17H21N3O2/c1-2-11-10-22-16-13(11)3-6-18-15(16)17(21)19-14-9-20-7-4-12(14)5-8-20/h3,6,10,12,14H,2,4-5,7-9H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyQQHLWJQORHQIMR-CQSZACIVSA-N
XLogP2.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide
CID 91221146
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)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62167440
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
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]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 16659708
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-b]pyridine-5-carboxamide;dihydrochloride
CID 11573737
3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-N-propan-2-ylindazole-1,3-dicarboxamide
CID 173194641
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22046990
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide (CID 91191836) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide is CCc1coc2c(C(=O)N[C@@H]3CN4CCC3CC4)nccc12.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide?
The InChIKey is QQHLWJQORHQIMR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-11-10-22-16-13(11)3-6-18-15(16)17(21)19-14-9-20-7-4-12(14)5-8-20/h3,6,10,12,14H,2,4-5,7-9H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 91191836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).