69707397
  -OEChem-05052407082D

 41 43  0     0  0  0  0  0  0999 V2000
    2.8660    3.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 31  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  2  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69707397

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
440

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAAABwAAAHwAQAAAADAjBngw8gJLIEACoAzV3VACCgCA1AiAI2KE4ZNgIIPLA1ZGEIQhglgDIyYcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-fluoro-N-[[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]methyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-fluoro-N-[[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]methyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-fluoro-<I>N</I>-[[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_NAME>
3-fluoro-N-[[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-fluoranyl-N-[[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-fluoro-N-[[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]methyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H18FN3O/c19-16-5-1-3-14(11-16)18(23)22-12-15-4-2-8-21-17(15)13-6-9-20-10-7-13/h1-6,8,11,20H,7,9-10,12H2,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
XVNJVAKBKKHVHH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
311.14339037

> <PUBCHEM_MOLECULAR_FORMULA>
C18H18FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
311.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNCC=C1C2=C(C=CC=N2)CNC(=O)C3=CC(=CC=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNCC=C1C2=C(C=CC=N2)CNC(=O)C3=CC(=CC=C3)F

> <PUBCHEM_CACTVS_TPSA>
54

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.14339037

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
12  14  8
14  15  8
15  16  8
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
4  10  8
4  16  8

$$$$