
 2-ethyl-N-(5-nitropyridin-2-yl)butanamide

 32 32  0  0  0  0  0  0  0  0999 V2000
    2.1595   -0.6162   -0.8843 C   0  0  0  0  0
    1.6303    0.4357    0.0813 C   0  0  0  0  0
    2.7248    1.3727    0.6210 C   0  0  0  0  0
    2.1039    2.4588    1.5179 C   0  0  0  0  0
    3.1101    3.5185    1.9566 C   0  0  0  0  0
    3.8609    0.6723    1.3707 C   0  0  0  0  0
    5.0127    1.0677    1.2137 O   0  0  0  0  0
    3.4895   -0.3231    2.2420 N   0  0  0  0  0
    4.3646   -1.0162    3.0764 C   0  0  0  0  0
    3.9928   -2.2894    3.3427 N   0  0  0  0  0
    4.8455   -3.0453    4.0804 C   0  0  0  0  0
    6.0199   -2.5478    4.6158 C   0  0  0  0  0
    6.3596   -1.2153    4.4066 C   0  0  0  0  0
    5.5181   -0.4395    3.6102 C   0  0  0  0  0
    6.8858   -3.4216    5.3756 N   0  0  0  0  0
    7.4848   -2.9316    6.3415 O   0  0  0  0  0
    6.9681   -4.6024    5.0055 O   0  0  0  0  0
    1.3313   -1.2197   -1.2692 H   0  0  0  0  0
    2.8661   -1.2949   -0.3974 H   0  0  0  0  0
    2.6616   -0.1485   -1.7368 H   0  0  0  0  0
    1.0947   -0.0577    0.8997 H   0  0  0  0  0
    0.8830    1.0369   -0.4511 H   0  0  0  0  0
    3.1869    1.8618   -0.2485 H   0  0  0  0  0
    1.6507    2.0078    2.4085 H   0  0  0  0  0
    1.3008    2.9615    0.9666 H   0  0  0  0  0
    3.8491    3.1051    2.6495 H   0  0  0  0  0
    2.5966    4.3362    2.4727 H   0  0  0  0  0
    3.6409    3.9403    1.0966 H   0  0  0  0  0
    2.6359   -0.8335    2.0704 H   0  0  0  0  0
    4.5363   -4.0779    4.2189 H   0  0  0  0  0
    7.2626   -0.7811    4.8275 H   0  0  0  0  0
    5.7662    0.6004    3.4266 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
M  CHG  2  15   1  17  -1
M  END

>  <Chemical Name>
2-ethyl-N-(5-nitropyridin-2-yl)butanamide

>  <PubChem CID>
2931999

>  <Formula>
C11H15N3O3

>  <Molecular Weight>
237.259000

>  <IUPAC Name>
2-ethyl-N-(5-nitropyridin-2-yl)butanamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(CC)C(=O)NC1=NC=C(C=C1)[N+](=O)[O-]

>  <Isomeric SMILES>
CCC(CC)C(=O)NC1=NC=C(C=C1)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C11H15N3O3/c1-3-8(4-2)11(15)13-10-6-5-9(7-12-10)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,13,15)

>  <InChI Key>
GPDNDHDFFZPJGP-UHFFFAOYSA-N

