63723689
  -OEChem-05062417092D

 34 36  0     0  0  0  0  0  0999 V2000
    4.3211   -1.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.4159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136   -2.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030   -1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227    1.0813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227    1.9108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    2.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    2.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    0.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279    0.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -2.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5168   -0.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9235   -0.4644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8203   -2.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996   -2.4961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 14  2  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  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  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  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
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63723689

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
333

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBwAAAHgAQAAAADAjBngQ8wJNIEACoAzV3VACCgCA3AiAI2KG4ZNgIYPLA1bGUIQhghgDIyYcYiIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[5-(aminomethyl)-2-pyridyl]-indolin-1-yl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[5-(aminomethyl)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
[5-(aminomethyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone

> <PUBCHEM_IUPAC_NAME>
[5-(aminomethyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[5-(aminomethyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-(aminomethyl)-2-pyridyl]-indolin-1-yl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H15N3O/c16-9-11-5-6-13(17-10-11)15(19)18-8-7-12-3-1-2-4-14(12)18/h1-6,10H,7-9,16H2

> <PUBCHEM_IUPAC_INCHIKEY>
OGHNFQNHDVFRHP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
253.121512110

> <PUBCHEM_MOLECULAR_FORMULA>
C15H15N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
253.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(C2=CC=CC=C21)C(=O)C3=NC=C(C=C3)CN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(C2=CC=CC=C21)C(=O)C3=NC=C(C=C3)CN

> <PUBCHEM_CACTVS_TPSA>
59.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.121512110

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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
12  13  8
14  15  8
15  17  8
16  17  8
16  18  8
3  14  8
3  18  8
7  10  8
7  8  8
8  11  8

$$$$