62241268
  -OEChem-04252403542D

 39 40  0     0  0  0  0  0  0999 V2000
    5.1350    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    3.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    4.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 17  2  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  3 33  1  0  0  0  0
  4 20  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62241268

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
330

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAYAAAADBzhmgY/9pLqFACoAjd3dACCjCk1IiIc+CE+bNiMJnLEtZuGOSjk1BPI6ae0QAAKAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydrazinyl-N-(4-propan-2-yloxyphenyl)-4-pyridinecarboxamide

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydrazino-N-(4-isopropoxyphenyl)isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18N4O2/c1-10(2)21-13-5-3-12(4-6-13)18-15(20)11-7-8-17-14(9-11)19-16/h3-10H,16H2,1-2H3,(H,17,19)(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
JAFQPSXUMIEBOK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
286.14297583

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
286.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)OC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NN

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)OC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NN

> <PUBCHEM_CACTVS_TPSA>
89.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.14297583

> <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>
12  14  8
13  15  8
16  18  8
16  19  8
18  20  8
19  21  8
4  20  8
4  21  8
8  12  8
8  13  8
9  14  8
9  15  8

$$$$