44233562
  -OEChem-04252410262D

 40 42  0     0  0  0  0  0  0999 V2000
    5.4641   -1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    0.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 19  2  0  0  0  0
  3 20  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  1  0  0  0  0
  6 25  1  0  0  0  0
  6 32  1  0  0  0  0
  7 18  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 23  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 31  1  0  0  0  0
 23 33  1  0  0  0  0
 24 26  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44233562

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
520

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAAB8AAAHwAQAAAADAzBngw/sJLIEACoA7d3dACCgC03EiAI2KG4dNiIYPrAlbGUIYhgggLIyecYicCeAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-4-fluoro-N-methyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[5-amino-6-[oxo(3-pyridinyl)methyl]-2-pyrazinyl]-4-fluoro-N-methylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-4-fluoro-<I>N</I>-methylbenzamide

> <PUBCHEM_IUPAC_NAME>
3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-4-fluoro-N-methylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(5-azanyl-6-pyridin-3-ylcarbonyl-pyrazin-2-yl)-4-fluoranyl-N-methyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(5-amino-6-nicotinoyl-pyrazin-2-yl)-4-fluoro-N-methyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14FN5O2/c1-21-18(26)10-4-5-13(19)12(7-10)14-9-23-17(20)15(24-14)16(25)11-3-2-6-22-8-11/h2-9H,1H3,(H2,20,23)(H,21,26)

> <PUBCHEM_IUPAC_INCHIKEY>
OHGHANOAFIVJGJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
351.11315287

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14FN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
351.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1=CC(=C(C=C1)F)C2=CN=C(C(=N2)C(=O)C3=CN=CC=C3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1=CC(=C(C=C1)F)C2=CN=C(C(=N2)C(=O)C3=CN=CC=C3)N

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.11315287

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  17  8
11  12  8
12  15  8
13  16  8
14  18  8
15  16  8
21  22  8
21  23  8
22  24  8
24  26  8
4  10  8
4  14  8
5  17  8
5  18  8
8  23  8
8  26  8
9  11  8
9  13  8

$$$$