49795430
  -OEChem-04182418512D

 53 56  0     1  0  0  0  0  0999 V2000
    6.4103   -1.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    0.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -1.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -3.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.7679    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -4.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    0.3460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593    0.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756   -1.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -2.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839   -0.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1139   -1.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -0.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -3.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139   -3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -2.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4570   -3.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6839   -4.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5309   -4.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3 27  2  0  0  0  0
  4 10  2  0  0  0  0
  4 15  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 35  1  0  0  0  0
  6 22  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  2  0  0  0  0
 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 24  1  0  0  0  0
 19 23  2  0  0  0  0
 19 27  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 30  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795430

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
625

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgAQAAAADBzhmgY+xJPIFACoArV3VAKCiCA1IiAI2CF8bNgOJnLE9d+POSjk1BHY6Ye43fKOgAACAAQAAAAAAAQACAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3-acetylphenyl)-N-[3-(dimethylamino)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-acetylphenyl)-N-[3-(dimethylamino)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3-acetylphenyl)-<I>N</I>-[3-(dimethylamino)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(3-acetylphenyl)-N-[3-(dimethylamino)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(dimethylamino)phenyl]-4-(3-ethanoylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3-acetylphenyl)-N-[3-(dimethylamino)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O3/c1-15(28)16-6-4-7-17(12-16)20-10-11-25-24-21(20)14-22(30-24)23(29)26-18-8-5-9-19(13-18)27(2)3/h4-13,22H,14H2,1-3H3,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
YMGAFLMAYCXRJO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
401.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
401.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC(=CC=C4)N(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC(=CC=C4)N(C)C

> <PUBCHEM_CACTVS_TPSA>
71.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
401.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  14  8
13  16  8
13  17  8
14  15  8
16  19  8
17  21  8
18  20  8
18  24  8
19  23  8
20  22  8
21  23  8
22  25  8
24  26  8
25  26  8
4  10  8
4  15  8
8  12  3
9  10  8
9  11  8

$$$$