49790819
  -OEChem-04262405322D

 51 54  0     1  0  0  0  0  0999 V2000
    4.6783   -0.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9844   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2024   -4.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -1.7733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1910    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709   -0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754   -2.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6889   -1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709   -3.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   -2.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4799   -3.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934   -3.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0979   -5.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353   -0.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5725    0.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    0.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.0255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7537   -1.3378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045   -3.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0643   -2.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4151   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813   -5.0542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0331   -5.7356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7145   -5.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 28  2  0  0  0  0
  5 11  2  0  0  0  0
  5 17  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  6 37  1  0  0  0  0
  7 28  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 29  2  0  0  0  0
 26 45  1  0  0  0  0
 27 29  1  0  0  0  0
 27 46  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49790819

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
636

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgAQAAAADEzBmgY+xpLIFACoAjV3VAKCiCA1IiAI2CF+bNgOJnLEtZ+POSjk1BHY6Ye43fKOgEACAAAAAAAAgAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3-carbamoylphenyl)-<I>N</I>-(4-methoxyphenyl)-2-methyl-3<I>H</I>-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3-aminocarbonylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3-carbamoylphenyl)-N-(4-methoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H21N3O4/c1-23(22(28)26-16-6-8-17(29-2)9-7-16)13-19-18(10-11-25-21(19)30-23)14-4-3-5-15(12-14)20(24)27/h3-12H,13H2,1-2H3,(H2,24,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
GAHDPVVGLPWJML-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
403.15320616

> <PUBCHEM_MOLECULAR_FORMULA>
C23H21N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
403.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2=C(C=CN=C2O1)C3=CC(=CC=C3)C(=O)N)C(=O)NC4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC2=C(C=CN=C2O1)C3=CC(=CC=C3)C(=O)N)C(=O)NC4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.15320616

> <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>
10  11  8
10  14  8
14  16  8
15  18  8
15  20  8
16  17  8
18  21  8
19  24  8
19  25  8
20  22  8
21  23  8
22  23  8
24  26  8
25  27  8
26  29  8
27  29  8
5  11  8
5  17  8
8  12  3

$$$$