
 2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile

 48 50  0  0  0  0  0  0  0  0999 V2000
    1.6078    5.0389   -0.1692 C   0  0  0  0  0
    1.4336    3.6005    0.0858 N   0  0  0  0  0
    0.0620    3.1881    0.3729 C   0  0  0  0  0
    2.5078    2.9716    0.7442 C   0  0  0  0  0
    3.8357    2.9991    0.2442 C   0  0  0  0  0
    4.8909    2.4647    1.0126 C   0  0  0  0  0
    4.6641    1.8489    2.1984 N   0  0  0  0  0
    3.3910    1.7479    2.6208 C   0  0  0  0  0
    2.3088    2.2900    1.9512 C   0  0  0  0  0
    6.2441    2.6530    0.6048 N   0  0  0  0  0
    6.8389    3.7573    1.3914 C   0  0  0  0  0
    6.2817    5.1193    1.0343 C   0  0  0  0  0
    6.6249    5.7346   -0.1783 C   0  0  0  0  0
    6.1094    6.9895   -0.5065 C   0  0  0  0  0
    5.2466    7.6417    0.3723 C   0  0  0  0  0
    4.8939    7.0382    1.5779 C   0  0  0  0  0
    5.4068    5.7827    1.9076 C   0  0  0  0  0
    7.0263    1.4075    0.7650 C   0  0  0  0  0
    6.8606    0.4388   -0.3883 C   0  0  0  0  0
    6.9473   -0.9426   -0.1498 C   0  0  0  0  0
    6.9108   -1.8534   -1.2078 C   0  0  0  0  0
    6.7892   -1.3952   -2.5176 C   0  0  0  0  0
    6.7055   -0.0276   -2.7700 C   0  0  0  0  0
    6.7509    0.8841   -1.7135 C   0  0  0  0  0
    4.1159    3.5095   -1.0674 C   0  0  0  0  0
    4.3254    3.9169   -2.1386 N   0  0  0  0  0
    2.3628    5.4922    0.4830 H   0  0  0  0  0
    0.6740    5.5864    0.0069 H   0  0  0  0  0
    1.8848    5.2066   -1.2139 H   0  0  0  0  0
   -0.6174    3.5952   -0.3847 H   0  0  0  0  0
   -0.2686    3.5556    1.3508 H   0  0  0  0  0
   -0.0415    2.0983    0.3383 H   0  0  0  0  0
    3.2552    1.2180    3.5593 H   0  0  0  0  0
    1.3280    2.1926    2.4012 H   0  0  0  0  0
    7.9180    3.8042    1.1889 H   0  0  0  0  0
    6.7537    3.5736    2.4715 H   0  0  0  0  0
    7.2794    5.2260   -0.8837 H   0  0  0  0  0
    6.3737    7.4512   -1.4545 H   0  0  0  0  0
    4.8452    8.6176    0.1126 H   0  0  0  0  0
    4.2155    7.5436    2.2598 H   0  0  0  0  0
    5.1141    5.3175    2.8464 H   0  0  0  0  0
    6.8289    0.9111    1.7242 H   0  0  0  0  0
    8.0972    1.6530    0.7795 H   0  0  0  0  0
    7.0585   -1.3182    0.8651 H   0  0  0  0  0
    6.9865   -2.9194   -1.0102 H   0  0  0  0  0
    6.7652   -2.1021   -3.3424 H   0  0  0  0  0
    6.6134    0.3349   -3.7906 H   0  0  0  0  0
    6.7063    1.9496   -1.9317 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 18  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 38  1  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 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 25 26  3  0  0  0
M  END

>  <Chemical Name>
2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile

>  <PubChem CID>
563623

>  <Formula>
C22H22N4

>  <Molecular Weight>
342.446000

>  <IUPAC Name>
2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)C1=C(C(=NC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C#N

>  <Isomeric SMILES>
CN(C)C1=C(C(=NC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C#N

>  <InChI Std. ID>
InChI=1S/C22H22N4/c1-25(2)21-13-14-24-22(20(21)15-23)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3

>  <InChI Key>
CCNHJWKQNZUWBC-UHFFFAOYSA-N

