62236252
  -OEChem-05102420522D

 36 37  0     0  0  0  0  0  0999 V2000
    6.0010    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739   -4.6550    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 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 34  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 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62236252

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAYAAAADAThmgY9tpLqFACoAjN3dACCjCk1IiIc+KE+bNiOJnLEtZuHOSjk1hPY6aeUQAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydrazino-N-(2-phenoxyethyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydrazinyl-N-(2-phenoxyethyl)-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydrazinyl-<I>N</I>-(2-phenoxyethyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-hydrazinyl-N-(2-phenoxyethyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-diazanyl-N-(2-phenoxyethyl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydrazino-N-(2-phenoxyethyl)isonicotinamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
SYZLYNWTHGAKJB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
272.12732577

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
272.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)OCCNC(=O)C2=CC(=NC=C2)NN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)OCCNC(=O)C2=CC(=NC=C2)NN

> <PUBCHEM_CACTVS_TPSA>
89.3

> <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>
11  15  8
11  16  8
12  14  8
13  17  8
15  18  8
16  19  8
18  20  8
19  20  8
4  14  8
4  17  8
9  12  8
9  13  8

$$$$