62378964
  -OEChem-04232410362D

 37 38  0     0  0  0  0  0  0999 V2000
    6.8671    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4 16  2  0  0  0  0
  4 19  1  0  0  0  0
  5 16  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  2  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62378964

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAThmgY9tpLIFACoAjN3dACCiCk1IiAI2KE+bNiMJnLEtZuGOSjm1hPI6aeUQAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-N-(3-phenoxypropyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-N-(3-phenoxypropyl)-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-<I>N</I>-(3-phenoxypropyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-amino-N-(3-phenoxypropyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-N-(3-phenoxypropyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-N-(3-phenoxypropyl)isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N3O2/c16-14-11-12(7-9-17-14)15(19)18-8-4-10-20-13-5-2-1-3-6-13/h1-3,5-7,9,11H,4,8,10H2,(H2,16,17)(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
FDEIUDFCINCYQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
271.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
271.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)OCCCNC(=O)C2=CC(=NC=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)OCCCNC(=O)C2=CC(=NC=C2)N

> <PUBCHEM_CACTVS_TPSA>
77.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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
10  13  8
11  14  8
11  15  8
12  16  8
13  19  8
14  17  8
15  18  8
17  20  8
18  20  8
4  16  8
4  19  8

$$$$