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

C16H17N3O3 — CID 22047077

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
SMILESO=Cc1coc2cnc(C(=O)NC3CN4CCC3CC4)cc12
InChIInChI=1S/C16H17N3O3/c20-8-11-9-22-15-6-17-13(5-12(11)15)16(21)18-14-7-19-3-1-10(14)2-4-19/h5-6,8-10,14H,1-4,7H2,(H,18,21)
InChIKeyNFPOLIAIJYGFCN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.46
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide (PubChem CID 22047077) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
PubChem CID22047077
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
SMILESO=Cc1coc2cnc(C(=O)NC3CN4CCC3CC4)cc12
InChIInChI=1S/C16H17N3O3/c20-8-11-9-22-15-6-17-13(5-12(11)15)16(21)18-14-7-19-3-1-10(14)2-4-19/h5-6,8-10,14H,1-4,7H2,(H,18,21)
InChIKeyNFPOLIAIJYGFCN-UHFFFAOYSA-N
XLogP1.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22047414
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22389168
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 87166132
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22047260
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)-5-cyanoisoquinoline-3-carboxamide
CID 22243256
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 22047049
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 87925247
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 22389089
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide (CID 22047077) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide is O=Cc1coc2cnc(C(=O)NC3CN4CCC3CC4)cc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is NFPOLIAIJYGFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-8-11-9-22-15-6-17-13(5-12(11)15)16(21)18-14-7-19-3-1-10(14)2-4-19/h5-6,8-10,14H,1-4,7H2,(H,18,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.46, 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)-3-formylfuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).