67395879
  -OEChem-05122423042D

 48 50  0     0  0  0  0  0  0999 V2000
    6.8671    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3 25  2  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  5 37  1  0  0  0  0
  6 21  1  0  0  0  0
  6 27  2  0  0  0  0
  7 22  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 25  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  2  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 25  1  0  0  0  0
 19 24  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 26  2  0  0  0  0
 23 28  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  1  0  0  0  0
 24 40  1  0  0  0  0
 26 29  1  0  0  0  0
 26 41  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
 28 42  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67395879

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
591

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADAjBmgQ8wJPIEACoAjV3VACCgCA1EiAI2CG4dNgIYPLAlbGUIQhglgDIyYcYiACOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N'-(3-pyridyl)oxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]-N'-(3-pyridinyl)oxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-<I>N</I>&apos;-pyridin-3-yloxamide

> <PUBCHEM_IUPAC_NAME>
N'-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N'-pyridin-3-yloxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N'-pyridin-3-yl-ethanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[4-[(2-aminophenyl)carbamoyl]benzyl]-N'-(3-pyridyl)oxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H19N5O3/c22-17-5-1-2-6-18(17)25-20(28)15-9-7-14(8-10-15)13-26(21(29)19(23)27)16-4-3-11-24-12-16/h1-12H,13,22H2,(H2,23,27)(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
NPCRSPMVNIDVFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
389.14878949

> <PUBCHEM_MOLECULAR_FORMULA>
C21H19N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
389.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN(C3=CN=CC=C3)C(=O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN(C3=CN=CC=C3)C(=O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
131

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.14878949

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  11  8
10  12  8
11  15  8
12  16  8
13  15  8
13  16  8
14  19  8
14  21  8
19  24  8
20  22  8
20  23  8
22  26  8
23  28  8
24  27  8
26  29  8
28  29  8
6  21  8
6  27  8

$$$$