-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.5917    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1917   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1917    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  3 10  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <ID> (BBL000561)
BBL000561

>  <Rotatable_Bonds> (BBL000561)
5

>  <logP> (BBL000561)
1.426

>  <PSA> (BBL000561)
54.02

>  <H_Donors> (BBL000561)
2

>  <H_Acceptors> (BBL000561)
1

>  <Number_of_rings> (BBL000561)
2

>  <NAME> (BBL000561)
N-[3-(benzylamino)propyl]pyridine-4-carboxamide

>  <Mol_Weight> (BBL000561)
269.35

>  <Mol_Formula> (BBL000561)
C16H19N3O

>  <Smiles> (BBL000561)
O=C(c1ccncc1)NCCCNCc1ccccc1

>  <Alternative_identifier> (BBL000561)
MFCD02735620

$$$$