71466573
  -OEChem-04252410222D

 42 44  0     0  0  0  0  0  0999 V2000
    6.0010    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 34  1  0  0  0  0
  3 14  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4 19  2  0  0  0  0
  4 21  1  0  0  0  0
  5 20  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  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 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71466573

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
370

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABwAAAHgAQAAAADQjBngQ8wJLIEACoAzV3VACCgCQxEiAI2CE4dJgIYPLAkZGUIAhglADIyAcYiICOCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-amino-5-pyrazin-2-yl-phenyl)cyclohexanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-amino-5-(2-pyrazinyl)phenyl]cyclohexanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-amino-5-pyrazin-2-ylphenyl)cyclohexanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2-amino-5-pyrazin-2-ylphenyl)cyclohexanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-azanyl-5-pyrazin-2-yl-phenyl)cyclohexanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-amino-5-pyrazin-2-yl-phenyl)cyclohexanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N4O/c18-14-7-6-13(16-11-19-8-9-20-16)10-15(14)21-17(22)12-4-2-1-3-5-12/h6-12H,1-5,18H2,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
CMQDNICLNADMHV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
296.16371127

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
296.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=NC=CN=C3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=NC=CN=C3)N

> <PUBCHEM_CACTVS_TPSA>
80.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.16371127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
13  14  8
13  15  8
14  17  8
15  16  8
16  18  8
17  18  8
19  20  8
21  22  8
4  19  8
4  21  8
5  20  8
5  22  8

$$$$