647091
  -OEChem-05142415462D

 33 35  0     0  0  0  0  0  0999 V2000
   11.4244    0.5933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5936    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0936    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1547    2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8457    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7102    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  2  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
647091

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAASJAAAAsAAAAAAAAAAAB+AAAHgQQAAAACAzl0ga99ZLIFEisAL939AKDiKk1OjBJ2Dn+fNiOZvLkvb+XOSjs1RP46aaYFwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[5-(thiophene-2-carbonylamino)-2-pyridyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[5-[[oxo(thiophen-2-yl)methyl]amino]-2-pyridinyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[5-(thiophene-2-carbonylamino)pyridin-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[5-(thiophene-2-carbonylamino)pyridin-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[5-(thiophen-2-ylcarbonylamino)pyridin-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[5-(2-thenoylamino)-2-pyridyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11N3O3S/c19-14(11-3-1-7-21-11)18-13-6-5-10(9-16-13)17-15(20)12-4-2-8-22-12/h1-9H,(H,17,20)(H,16,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
NMCUOQSDFBGTMF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
313.05211239

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
313.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CS3

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
313.05211239

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  14  8
1  21  8
10  11  8
14  17  8
15  18  8
17  19  8
18  20  8
19  21  8
2  15  8
2  22  8
20  22  8
7  12  8
7  9  8
8  10  8
8  12  8
9  11  8

$$$$