
 6-(dipropylamino)nicotinic acid

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.1850    1.7462   -0.3608 C   0  0  0  0  0
    2.5158    1.7874    0.3719 C   0  0  0  0  0
    3.6959    1.5926   -0.5838 C   0  0  0  0  0
    4.9484    1.6148    0.1878 N   0  0  0  0  0
    5.9246    0.5709   -0.1588 C   0  0  0  0  0
    5.6436   -0.6749    0.6845 C   0  0  0  0  0
    6.6238   -1.7938    0.3747 C   0  0  0  0  0
    5.5487    2.8799    0.3113 C   0  0  0  0  0
    5.3809    3.8214   -0.6420 N   0  0  0  0  0
    6.0266    5.0083   -0.4924 C   0  0  0  0  0
    6.8340    5.3201    0.5896 C   0  0  0  0  0
    6.9801    4.3598    1.5842 C   0  0  0  0  0
    6.3384    3.1303    1.4381 C   0  0  0  0  0
    7.5320    6.6111    0.7141 C   0  0  0  0  0
    8.1159    7.0112    1.7044 O   0  0  0  0  0
    7.5091    7.3266   -0.4232 O   0  0  0  0  0
    0.3581    1.8260    0.3521 H   0  0  0  0  0
    1.0670    0.8082   -0.9129 H   0  0  0  0  0
    1.1039    2.5760   -1.0696 H   0  0  0  0  0
    2.5296    0.9978    1.1337 H   0  0  0  0  0
    2.6072    2.7414    0.9041 H   0  0  0  0  0
    3.6723    2.3295   -1.3953 H   0  0  0  0  0
    3.5756    0.6156   -1.0703 H   0  0  0  0  0
    6.9593    0.8897    0.0258 H   0  0  0  0  0
    5.8658    0.3327   -1.2289 H   0  0  0  0  0
    4.6218   -1.0312    0.5095 H   0  0  0  0  0
    5.7108   -0.4209    1.7496 H   0  0  0  0  0
    6.5463   -2.1031   -0.6724 H   0  0  0  0  0
    6.4144   -2.6649    1.0034 H   0  0  0  0  0
    7.6543   -1.4776    0.5654 H   0  0  0  0  0
    5.8616    5.7126   -1.3029 H   0  0  0  0  0
    7.5898    4.5540    2.4629 H   0  0  0  0  0
    6.4415    2.3683    2.2046 H   0  0  0  0  0
    8.0410    8.1242   -0.2140 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 34  1  0  0  0
M  END

>  <Chemical Name>
6-(dipropylamino)nicotinic acid

>  <PubChem CID>
16775596

>  <Formula>
C12H18N2O2

>  <Molecular Weight>
222.288000

>  <IUPAC Name>
6-(dipropylamino)pyridine-3-carboxylic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCC)C1=NC=C(C=C1)C(=O)O

>  <Isomeric SMILES>
CCCN(CCC)C1=NC=C(C=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C12H18N2O2/c1-3-7-14(8-4-2)11-6-5-10(9-13-11)12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)

>  <InChI Key>
HZHCXUBHEMDETN-UHFFFAOYSA-N

