methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate

C16H17N3O4 — CID 22389358

IUPACmethyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cnc(C(=O)NC3CC4CC3CN4)cc2o1
InChIInChI=1S/C16H17N3O4/c1-22-16(21)14-3-9-7-18-12(5-13(9)23-14)15(20)19-11-4-10-2-8(11)6-17-10/h3,5,7-8,10-11,17H,2,4,6H2,1H3,(H,19,20)
InChIKeyADNJHWXQXYMWJQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.09
Rot. Bonds3

About methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate

methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 22389358) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
PubChem CID22389358
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cnc(C(=O)NC3CC4CC3CN4)cc2o1
InChIInChI=1S/C16H17N3O4/c1-22-16(21)14-3-9-7-18-12(5-13(9)23-14)15(20)19-11-4-10-2-8(11)6-17-10/h3,5,7-8,10-11,17H,2,4,6H2,1H3,(H,19,20)
InChIKeyADNJHWXQXYMWJQ-UHFFFAOYSA-N
XLogP1.09
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate (CID 22389358) is methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2cnc(C(=O)NC3CC4CC3CN4)cc2o1.
What is the InChIKey of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is ADNJHWXQXYMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-16(21)14-3-9-7-18-12(5-13(9)23-14)15(20)19-11-4-10-2-8(11)6-17-10/h3,5,7-8,10-11,17H,2,4,6H2,1H3,(H,19,20).
What are the key properties of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 22389358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).