
 N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

 48 52  0  0  0  0  0  0  0  0999 V2000
   -1.4091   -0.5086    0.2651 C   0  0  0  0  0
   -0.9047    0.7840    0.3943 C   0  0  0  0  0
    0.4694    1.0191    0.2643 C   0  0  0  0  0
    1.3431   -0.0485    0.0027 C   0  0  0  0  0
    0.8252   -1.3444   -0.1259 C   0  0  0  0  0
   -0.5458   -1.5715    0.0051 C   0  0  0  0  0
    2.7446    0.1645   -0.1294 N   0  0  0  0  0
    3.4263    1.3505   -0.0385 C   0  0  0  0  0
    4.7683    1.0811   -0.2265 C   0  0  0  0  0
    4.8124   -0.3187   -0.3945 C   0  0  0  0  0
    3.5916   -0.8672   -0.3899 N   0  0  0  0  0
    6.0416   -1.1438   -0.5865 C   0  0  0  0  0
    6.0815   -2.4390   -1.0682 C   0  0  0  0  0
    7.4438   -2.8343   -1.0830 C   0  0  0  0  0
    8.1545   -3.9825   -1.4722 C   0  0  0  0  0
    9.5441   -4.0086   -1.2816 C   0  0  0  0  0
   10.2143   -2.9224   -0.7124 C   0  0  0  0  0
    9.5272   -1.7621   -0.3410 C   0  0  0  0  0
    8.1512   -1.7605   -0.5583 C   0  0  0  0  0
    7.3110   -0.7230   -0.2960 O   0  0  0  0  0
    5.8259    2.0587   -0.3143 C   0  0  0  0  0
    5.4807    3.3033   -0.2572 N   0  0  0  0  0
    6.4526    4.2244   -0.4684 N   0  0  0  0  0
    6.2189    5.5851   -0.3943 C   0  0  0  0  0
    7.1434    6.3850   -0.5293 O   0  0  0  0  0
    4.8548    6.0842   -0.0945 C   0  0  0  0  0
    3.6999    5.5042   -0.6036 C   0  0  0  0  0
    2.4412    5.9242   -0.3097 N   0  0  0  0  0
    2.3394    6.9893    0.5144 C   0  0  0  0  0
    3.4308    7.6627    1.0422 C   0  0  0  0  0
    4.7090    7.2060    0.7250 C   0  0  0  0  0
   -2.4768   -0.6872    0.3670 H   0  0  0  0  0
   -1.5775    1.6120    0.5966 H   0  0  0  0  0
    0.8163    2.0428    0.3727 H   0  0  0  0  0
    1.4780   -2.1916   -0.3276 H   0  0  0  0  0
   -0.9407   -2.5796   -0.0954 H   0  0  0  0  0
    2.9267    2.2959    0.1254 H   0  0  0  0  0
    5.2252   -3.0162   -1.3877 H   0  0  0  0  0
    7.6424   -4.8346   -1.9077 H   0  0  0  0  0
   10.1063   -4.8929   -1.5755 H   0  0  0  0  0
   11.2902   -2.9778   -0.5583 H   0  0  0  0  0
   10.0320   -0.9114    0.0992 H   0  0  0  0  0
    6.8647    1.7298   -0.4770 H   0  0  0  0  0
    7.4097    3.9394   -0.6510 H   0  0  0  0  0
    3.7383    4.6656   -1.2925 H   0  0  0  0  0
    1.3255    7.3022    0.7446 H   0  0  0  0  0
    3.2913    8.5212    1.6888 H   0  0  0  0  0
    5.5846    7.7124    1.1232 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 29 46  1  0  0  0
 30 31  2  0  0  0
 30 47  1  0  0  0
 31 48  1  0  0  0
M  END

>  <Chemical Name>
N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

>  <PubChem CID>
2449912

>  <Formula>
C24H17N5O2

>  <Molecular Weight>
407.433000

>  <IUPAC Name>
N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=CN=CC=C5

>  <Isomeric SMILES>
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)

>  <InChI Key>
CAEZKMVXBNAAGV-UHFFFAOYSA-N

