N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide

C17H19N3O2 — CID 66814884

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
SMILESC=Cc1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2o1
InChIInChI=1S/C17H19N3O2/c1-2-14-6-12-8-18-15(7-16(12)22-14)17(21)19-13-5-11-3-4-20(9-11)10-13/h2,6-8,11,13H,1,3-5,9-10H2,(H,19,21)/t11-,13+/m0/s1
InChIKeyIJUQMJCODKNIRJ-WCQYABFASA-N
MW297.36 g/mol
LogP2.29
Rot. Bonds3

About N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 66814884) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID66814884
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
SMILESC=Cc1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2o1
InChIInChI=1S/C17H19N3O2/c1-2-14-6-12-8-18-15(7-16(12)22-14)17(21)19-13-5-11-3-4-20(9-11)10-13/h2,6-8,11,13H,1,3-5,9-10H2,(H,19,21)/t11-,13+/m0/s1
InChIKeyIJUQMJCODKNIRJ-WCQYABFASA-N
XLogP2.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide (CID 66814884) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide is C=Cc1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2o1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is IJUQMJCODKNIRJ-WCQYABFASA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-14-6-12-8-18-15(7-16(12)22-14)17(21)19-13-5-11-3-4-20(9-11)10-13/h2,6-8,11,13H,1,3-5,9-10H2,(H,19,21)/t11-,13+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66814884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).