
 2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.0513   -0.8895    0.8244 C   0  0  0  0  0
    2.3272    0.1429    0.1592 O   0  0  0  0  0
    3.0060    1.3448    0.1291 C   0  0  0  0  0
    2.2659    2.5125   -0.0314 C   0  0  0  0  0
    2.9407    3.7535    0.0128 C   0  0  0  0  0
    4.3519    3.7193    0.1524 C   0  0  0  0  0
    5.0087    2.4871    0.2429 C   0  0  0  0  0
    4.3516    1.3165    0.2447 N   0  0  0  0  0
    6.3940    2.3661    0.2737 N   0  0  0  0  0
    5.1356    4.9200    0.2430 C   0  0  0  0  0
    5.7782    5.8786    0.3394 N   0  0  0  0  0
    2.2001    5.0432   -0.0438 C   0  0  0  0  0
    2.5058    6.0219   -1.0099 C   0  0  0  0  0
    1.8382    7.2308   -0.9662 C   0  0  0  0  0
    0.8592    7.4882   -0.0391 C   0  0  0  0  0
    0.4951    6.5532    0.9001 C   0  0  0  0  0
    1.1838    5.3340    0.9054 C   0  0  0  0  0
    0.3377    8.7366   -0.1647 O   0  0  0  0  0
    1.1598    9.2658   -1.2257 C   0  0  0  0  0
    2.0609    8.2899   -1.7903 O   0  0  0  0  0
    0.8480    2.4135   -0.2208 C   0  0  0  0  0
   -0.3034    2.3483   -0.3559 N   0  0  0  0  0
    2.3836   -1.7497    0.9318 H   0  0  0  0  0
    3.3530   -0.5771    1.8312 H   0  0  0  0  0
    3.9186   -1.2078    0.2370 H   0  0  0  0  0
    6.6347    1.3821    0.3696 H   0  0  0  0  0
    6.8541    2.9405    0.9728 H   0  0  0  0  0
    3.2666    5.8675   -1.7694 H   0  0  0  0  0
   -0.2877    6.7609    1.6213 H   0  0  0  0  0
    0.9163    4.6072    1.6717 H   0  0  0  0  0
    0.5090    9.6449   -2.0210 H   0  0  0  0  0
    1.7499   10.0998   -0.8264 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  3  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 20  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 31  1  0  0  0
 19 32  1  0  0  0
 21 22  3  0  0  0
M  END

>  <Chemical Name>
2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile

>  <PubChem CID>
700373

>  <Formula>
C15H10N4O3

>  <Molecular Weight>
294.270000

>  <IUPAC Name>
2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

>  <Isomeric SMILES>
COC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

>  <InChI Std. ID>
InChI=1S/C15H10N4O3/c1-20-15-10(6-17)13(9(5-16)14(18)19-15)8-2-3-11-12(4-8)22-7-21-11/h2-4H,7H2,1H3,(H2,18,19)

>  <InChI Key>
ABLFQJZRWXQNFZ-UHFFFAOYSA-N

