63722514
  -OEChem-04202401212D

 34 35  0     0  0  0  0  0  0999 V2000
    6.8671   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  2  0  0  0  0
  4 17  1  0  0  0  0
  5 15  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 20  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 16  2  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63722514

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
361

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAjBngQ8wJLIEACoAzV3VACCgCA3AiAI2KG4ZNgIYPrA1bGUIYhglADIyccYiACOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(aminomethyl)-N-(2-carbamoylphenyl)pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(aminomethyl)-N-(2-carbamoylphenyl)-2-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(aminomethyl)-<I>N</I>-(2-carbamoylphenyl)pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(aminomethyl)-N-(2-carbamoylphenyl)pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-aminocarbonylphenyl)-5-(aminomethyl)pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(aminomethyl)-N-(2-carbamoylphenyl)picolinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N4O2/c15-7-9-5-6-12(17-8-9)14(20)18-11-4-2-1-3-10(11)13(16)19/h1-6,8H,7,15H2,(H2,16,19)(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
UCOYUHAHWIQCFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
270.11167570

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
270.29

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

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

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.11167570

> <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  14  8
12  18  8
13  14  8
16  19  8
18  19  8
4  10  8
4  17  8
7  12  8
7  8  8
8  16  8
9  13  8
9  17  8

$$$$