
 SMR000130166

 57 60  0  0  0  0  0  0  0  0999 V2000
    1.4597   -0.8679   -3.6128 C   0  0  0  0  0
    0.3776    0.1120   -3.1877 C   0  0  0  0  0
   -0.5545   -0.4762   -2.1209 C   0  0  0  0  0
    0.1664   -1.0819   -0.8704 C   0  0  0  0  0
    1.2653   -2.0524   -1.4094 C   0  0  0  0  0
    2.2183   -1.4004   -2.4061 C   0  0  0  0  0
   -0.9537   -1.9357   -0.1750 C   0  0  0  0  0
   -1.1875   -3.1045   -0.4881 O   0  0  0  0  0
   -1.8284   -1.2229    0.6264 N   0  0  0  0  0
   -2.9667   -1.8758    1.2524 C   0  0  0  0  0
   -2.5580   -2.7353    2.4548 C   0  0  0  0  0
   -2.8614   -1.9102    3.7063 C   0  0  0  0  0
   -3.3861   -0.5707    3.2146 C   0  0  0  0  0
   -3.9496   -0.8656    1.8332 C   0  0  0  0  0
    0.7317   -0.0635    0.1105 N   0  0  0  0  0
    0.5900    1.3851   -0.1181 C   0  0  0  0  0
   -0.1720    2.0606    0.9728 C   0  0  0  0  0
    0.1592    3.0168    1.9129 C   0  0  0  0  0
   -1.0248    3.3181    2.6225 C   0  0  0  0  0
   -2.0138    2.5588    2.0468 C   0  0  0  0  0
   -1.5056    1.7758    1.0604 O   0  0  0  0  0
    1.4420   -0.5686    1.2242 C   0  0  0  0  0
    1.3739   -1.7533    1.5583 O   0  0  0  0  0
    2.2906    0.3046    2.0922 C   0  0  0  0  0
    2.9563    1.3594    1.5438 N   0  0  0  0  0
    3.7047    2.0849    2.4099 C   0  0  0  0  0
    3.7900    1.7868    3.7590 C   0  0  0  0  0
    3.1482    0.7317    4.3066 N   0  0  0  0  0
    2.4105   -0.0112    3.4386 C   0  0  0  0  0
    1.0037   -1.7014   -4.1609 H   0  0  0  0  0
    2.1550   -0.3763   -4.3025 H   0  0  0  0  0
   -0.2160    0.4016   -4.0628 H   0  0  0  0  0
    0.8612    1.0267   -2.8322 H   0  0  0  0  0
   -1.3120    0.2603   -1.8281 H   0  0  0  0  0
   -1.1286   -1.2759   -2.6124 H   0  0  0  0  0
    1.8518   -2.5038   -0.6054 H   0  0  0  0  0
    0.7888   -2.9005   -1.9209 H   0  0  0  0  0
    2.7777   -0.5917   -1.9211 H   0  0  0  0  0
    2.9540   -2.1415   -2.7432 H   0  0  0  0  0
   -1.5357   -0.3020    0.9395 H   0  0  0  0  0
   -3.4520   -2.4916    0.4864 H   0  0  0  0  0
   -1.5076   -3.0439    2.4263 H   0  0  0  0  0
   -3.1644   -3.6494    2.4801 H   0  0  0  0  0
   -3.6195   -2.4171    4.3136 H   0  0  0  0  0
   -1.9718   -1.7810    4.3322 H   0  0  0  0  0
   -4.1350   -0.1423    3.8862 H   0  0  0  0  0
   -2.5531    0.1328    3.1480 H   0  0  0  0  0
   -4.9402   -1.3257    1.9334 H   0  0  0  0  0
   -4.0539    0.0385    1.2249 H   0  0  0  0  0
    0.0349    1.5981   -1.0275 H   0  0  0  0  0
    1.5750    1.8308   -0.2719 H   0  0  0  0  0
    1.1356    3.4532    2.0599 H   0  0  0  0  0
   -1.1485    4.0196    3.4363 H   0  0  0  0  0
   -3.0757    2.4559    2.2272 H   0  0  0  0  0
    4.2286    2.9370    1.9884 H   0  0  0  0  0
    4.3765    2.3938    4.4424 H   0  0  0  0  0
    1.9077   -0.8748    3.8696 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 19 20  2  0  0  0
 19 53  1  0  0  0
 20 21  1  0  0  0
 20 54  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 29  2  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
SMR000130166

>  <PubChem CID>
4579040

>  <Formula>
C22H28N4O3

>  <Molecular Weight>
396.491000

>  <IUPAC Name>
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)C4=NC=CN=C4

>  <Isomeric SMILES>
C1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CO3)C(=O)C4=NC=CN=C4

>  <InChI Std. ID>
InChI=1S/C22H28N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)

>  <InChI Key>
BXSQZDXBPVRFFZ-UHFFFAOYSA-N

