60345589
  -OEChem-05102413312D

 51 53  0     1  0  0  0  0  0999 V2000
    4.2690    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5369    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957   -2.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987   -2.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7532   -4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3732   -3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  6 40  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  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 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60345589

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
508

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABwAAAHgAQAAAADQzhmgY/9pPIFACoAjd3dACCiCk1IiAJ2CE+bNiMJvrE/ZuGOajs1hPI6ee4QQAMAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[2-(4-ethoxyanilino)-3-pyridinyl]-oxomethyl]-3-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[(4-ethoxyphenyl)amino]pyridin-3-yl]carbonylpiperidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(p-phenetidino)nicotinoyl]nipecotamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24N4O3/c1-2-27-16-9-7-15(8-10-16)23-19-17(6-3-11-22-19)20(26)24-12-4-5-14(13-24)18(21)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,21,25)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
FJAJRHBLRCCEFT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
368.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
368.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCCC(C3)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCCC(C3)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
97.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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
15  17  8
17  18  8
18  20  8
19  21  8
19  22  8
21  23  8
22  24  8
23  25  8
24  25  8
7  16  8
7  20  8
8  13  3

$$$$