
 6-n-butylamino-3-pyridine carboxylic acid

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.8108    4.2909   -3.9289 C   0  0  0  0  0
    5.7827    3.5864   -2.9952 C   0  0  0  0  0
    5.0723    2.5343   -2.1389 C   0  0  0  0  0
    6.0334    1.7391   -1.2518 C   0  0  0  0  0
    6.6984    2.6072   -0.3093 N   0  0  0  0  0
    7.5934    2.1964    0.6405 C   0  0  0  0  0
    7.9152    3.1352    1.5530 N   0  0  0  0  0
    8.8492    2.8274    2.4890 C   0  0  0  0  0
    9.4812    1.5989    2.5729 C   0  0  0  0  0
    9.1297    0.6287    1.6399 C   0  0  0  0  0
    8.1816    0.9362    0.6608 C   0  0  0  0  0
   10.4902    1.3888    3.6261 C   0  0  0  0  0
   10.8476    2.2136    4.4448 O   0  0  0  0  0
   11.0103    0.1485    3.6048 O   0  0  0  0  0
    5.3341    5.0520   -4.5162 H   0  0  0  0  0
    4.0132    4.7855   -3.3653 H   0  0  0  0  0
    4.3519    3.5813   -4.6246 H   0  0  0  0  0
    6.2606    4.3364   -2.3549 H   0  0  0  0  0
    6.5741    3.1142   -3.5885 H   0  0  0  0  0
    4.5456    1.8306   -2.7953 H   0  0  0  0  0
    4.3120    3.0217   -1.5161 H   0  0  0  0  0
    6.7704    1.2332   -1.8869 H   0  0  0  0  0
    5.4640    0.9695   -0.7173 H   0  0  0  0  0
    6.2881    3.5043   -0.0747 H   0  0  0  0  0
    9.0789    3.6324    3.1828 H   0  0  0  0  0
    9.5879   -0.3560    1.6541 H   0  0  0  0  0
    7.9206    0.1850   -0.0755 H   0  0  0  0  0
   11.6577    0.1487    4.3414 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
6-n-butylamino-3-pyridine carboxylic acid

>  <PubChem CID>
28400380

>  <Formula>
C10H14N2O2

>  <Molecular Weight>
194.234000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCNC1=NC=C(C=C1)C(=O)O

>  <Isomeric SMILES>
CCCCNC1=NC=C(C=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H14N2O2/c1-2-3-6-11-9-5-4-8(7-12-9)10(13)14/h4-5,7H,2-3,6H2,1H3,(H,11,12)(H,13,14)

>  <InChI Key>
AABHMQVNLULEDP-UHFFFAOYSA-N

