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

C15H16FN3O2 — CID 66815077

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cc(F)oc2cn1
InChIInChI=1S/C15H16FN3O2/c16-14-5-10-4-12(17-6-13(10)21-14)15(20)18-11-3-9-1-2-19(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,18,20)/t9-,11-/m1/s1
InChIKeyZVUZEUMRIRBLTE-MWLCHTKSSA-N
MW289.31 g/mol
LogP1.79
Rot. Bonds2

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

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide (PubChem CID 66815077) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide
PubChem CID66815077
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cc(F)oc2cn1
InChIInChI=1S/C15H16FN3O2/c16-14-5-10-4-12(17-6-13(10)21-14)15(20)18-11-3-9-1-2-19(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,18,20)/t9-,11-/m1/s1
InChIKeyZVUZEUMRIRBLTE-MWLCHTKSSA-N
XLogP1.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide (CID 66815077) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cc(F)oc2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is ZVUZEUMRIRBLTE-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-14-5-10-4-12(17-6-13(10)21-14)15(20)18-11-3-9-1-2-19(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,18,20)/t9-,11-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-fluorofuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66815077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).