Mrv1572004221605452D          

 21 24  0  0  1  0            999 V2000
   -2.7617    3.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    3.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7617    2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    2.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5091    4.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251    3.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251    5.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473    3.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396    3.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    3.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    3.4666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2396    4.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    3.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    4.7041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    3.8791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473    2.2291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    2.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242    4.9590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    3.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 16 12  2  0  0  0  0
 13 17  1  1  0  0  0
 17 15  1  0  0  0  0
 18  4  1  0  0  0  0
 18  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  2  0  0  0  0
 20  6  1  0  0  0  0
 20 14  1  0  0  0  0
 13 21  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM019460

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@@]1(CN2CCC1CC2)NC(=O)C1=NC=C2OC=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1

> <INCHI_KEY>
IPKZCLGGYKRDES-ZDUSSCGKSA-N

> <FORMULA>
C15H17N3O2

> <MOLECULAR_WEIGHT>
271.32

> <EXACT_MASS>
271.132076799

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
28.879957576116823

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
0.7505124776666661

> <ALOGPS_LOGS>
-2.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.535063656380729

> <JCHEM_PKA_STRONGEST_BASIC>
7.6749963273623765

> <JCHEM_POLAR_SURFACE_AREA>
58.370000000000005

> <JCHEM_REFRACTIVITY>
74.31559999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.77e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
PHA-00543613

> <CAS>
478149-53-0

> <SYNONYMS>
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

$$$$