67882923
  -OEChem-05122419492D

 53 55  0     0  0  0  0  0  0999 V2000
    8.9282   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  2 21  1  0  0  0  0
  2 27  1  0  0  0  0
  3 23  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 39  1  0  0  0  0
  6 15  2  0  0  0  0
  6 19  1  0  0  0  0
  7 23  1  0  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67882923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABwAAAHgAQAAAADCzhmgY/tpPIFACoAjN3dACCiCk1IiAJ2KE+7NiPJnLE/ZuHOSrs0BPa6aeUQAAKAAAAAAAAQAAAAAAAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[1-[2-(2-methoxyphenoxy)ethyl]-4-piperidyl]amino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[1-[2-(2-methoxyphenoxy)ethyl]-4-piperidinyl]amino]-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]amino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]amino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]amino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[1-[2-(2-methoxyphenoxy)ethyl]-4-piperidyl]amino]isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H26N4O3/c1-26-17-4-2-3-5-18(17)27-13-12-24-10-7-16(8-11-24)23-19-14-15(20(21)25)6-9-22-19/h2-6,9,14,16H,7-8,10-13H2,1H3,(H2,21,25)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
LPENAOWSEBJDPK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
370.20049070

> <PUBCHEM_MOLECULAR_FORMULA>
C20H26N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
370.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1OCCN2CCC(CC2)NC3=NC=CC(=C3)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1OCCN2CCC(CC2)NC3=NC=CC(=C3)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
89.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.20049070

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
15  16  8
16  17  8
17  20  8
18  21  8
18  22  8
19  20  8
21  24  8
22  25  8
24  26  8
25  26  8
6  15  8
6  19  8

$$$$