61030629
  -OEChem-05062400292D

 36 37  0     0  0  0  0  0  0999 V2000
    4.5981   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  2  0  0  0  0
  4 19  1  0  0  0  0
  5 15  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 20  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61030629

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAzhmgY99pLIFACoAjd3dACCiCk1IiAJ2KE+bNiOJnLEvZuHOSju0BvY6aeUUAEKAAAAAgAAAAAAAAAEAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(3-aminophenoxy)ethylamino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(3-aminophenoxy)ethylamino]-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(3-aminophenoxy)ethylamino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-[2-(3-aminophenoxy)ethylamino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(3-azanylphenoxy)ethylamino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-(3-aminophenoxy)ethylamino]isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N4O2/c15-11-2-1-3-12(9-11)20-7-6-18-13-8-10(14(16)19)4-5-17-13/h1-5,8-9H,6-7,15H2,(H2,16,19)(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
WIJVRGHSNYIKMP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
272.12732577

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
272.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)OCCNC2=NC=CC(=C2)C(=O)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)OCCNC2=NC=CC(=C2)C(=O)N)N

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.12732577

> <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  13  8
10  14  8
11  12  8
12  16  8
13  15  8
14  17  8
15  18  8
16  19  8
17  18  8
4  19  8
4  9  8
9  11  8

$$$$