69707422
  -OEChem-04162404512D

 47 49  0     0  0  0  0  0  0999 V2000
    5.4641    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3100    0.0000 N   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
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    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
    2.8660    2.8100    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
    5.4641    1.3100    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
    7.1962    1.3100    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
    7.1962   -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   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6900    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
    7.1962    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 34  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 44  1  0  0  0  0
  4 16  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  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  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69707422

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
401

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAAABgAAAHgAQAAAADCjBngQ8gJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIIPLAlZGEIAhglgDIyAcciICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]acetamide

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

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H25N3O/c22-17(21-16-6-2-1-3-7-16)13-15-5-4-10-20-18(15)14-8-11-19-12-9-14/h4-5,8,10,16,19H,1-3,6-7,9,11-13H2,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
KQNLNOAMWUPOOK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
299.199762429

> <PUBCHEM_MOLECULAR_FORMULA>
C18H25N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
299.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3

> <PUBCHEM_CACTVS_TPSA>
54

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.199762429

> <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  16  8
13  20  8
20  21  8
21  22  8
4  16  8
4  22  8

$$$$