67570626
  -OEChem-04262407142D

 54 57  0     0  0  0  0  0  0999 V2000
    2.8660    4.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 36  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  5 46  1  0  0  0  0
  6 17  1  0  0  0  0
  6 29  2  0  0  0  0
  7 27  1  0  0  0  0
  7 33  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 26  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 22  1  0  0  0  0
 12 37  1  0  0  0  0
 13 23  2  0  0  0  0
 13 38  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 28  2  0  0  0  0
 24 45  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67570626

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
632

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwAQAAAADAzBmgw99pLIFACoAjd3dACCiCk1IiAJ2CE+bNiMJv7E/ZuOOeju9BPI6ee40YAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[(4-fluorophenyl)methyl]vinyl]-2-[4-(2-pyridylamino)phenoxy]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-[4-(2-pyridinylamino)phenoxy]-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(4-fluorophenyl)prop-1-en-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(4-fluorobenzyl)vinyl]-2-[4-(2-pyridylamino)phenoxy]nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H21FN4O2/c1-18(17-19-7-9-20(27)10-8-19)30-25(32)23-5-4-16-29-26(23)33-22-13-11-21(12-14-22)31-24-6-2-3-15-28-24/h2-16H,1,17H2,(H,28,31)(H,30,32)

> <PUBCHEM_IUPAC_INCHIKEY>
APOXWYGCEPUUQY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
440.16485409

> <PUBCHEM_MOLECULAR_FORMULA>
C26H21FN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
440.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=C(CC1=CC=C(C=C1)F)NC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C(CC1=CC=C(C=C1)F)NC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
76.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
440.16485409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  17  8
11  24  8
12  22  8
13  23  8
15  18  8
15  19  8
16  20  8
16  21  8
18  20  8
19  21  8
22  25  8
23  25  8
24  28  8
27  30  8
28  29  8
30  31  8
31  32  8
32  33  8
6  17  8
6  29  8
7  27  8
7  33  8
9  12  8
9  13  8

$$$$