62329385
  -OEChem-04252401302D

 40 41  0     0  0  0  0  0  0999 V2000
   10.6603    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    1.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683    2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  4 18  2  0  0  0  0
  4 19  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 16  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62329385

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
317

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAzhmgY/9pLIFACoAjd3dACCiCk1IiAJ2KE+bNiMJvrE9ZuGOajs1BPI6ee4QQAMAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(methylamino)-N-(4-propoxyphenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-(methylamino)-N-(4-propoxyphenyl)-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-(methylamino)-<I>N</I>-(4-propoxyphenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
6-(methylamino)-N-(4-propoxyphenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(methylamino)-N-(4-propoxyphenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(methylamino)-N-(4-propoxyphenyl)nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H19N3O2/c1-3-10-21-14-7-5-13(6-8-14)19-16(20)12-4-9-15(17-2)18-11-12/h4-9,11H,3,10H2,1-2H3,(H,17,18)(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
DQNQTYYGGPZHJD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
285.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C16H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
285.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)NC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)NC

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  12  8
11  13  8
14  17  8
14  19  8
17  20  8
18  20  8
4  18  8
4  19  8
8  10  8
8  11  8
9  12  8
9  13  8

$$$$