65697467
  -OEChem-05132400392D

 38 39  0     0  0  0  0  0  0999 V2000
    3.7320   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823   -0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65697467

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
332

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAzhmgY//pLIFACoAjb3bACCiCk1MiAJ2CE+fNiMZnrEvZuWMahu0BPI6ee0QAAKAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 3-amino-2-(4-methoxyanilino)pyridine-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
3-amino-2-(4-methoxyanilino)-4-pyridinecarboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 3-amino-2-(4-methoxyanilino)pyridine-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 3-amino-2-(4-methoxyanilino)pyridine-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 3-azanyl-2-[(4-methoxyphenyl)amino]pyridine-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-amino-2-(p-anisidino)isonicotinic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N3O3/c1-3-21-15(19)12-8-9-17-14(13(12)16)18-10-4-6-11(20-2)7-5-10/h4-9H,3,16H2,1-2H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
MRTRDLBATHJHPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
287.12699141

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
287.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=C(C(=NC=C1)NC2=CC=C(C=C2)OC)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=C(C(=NC=C1)NC2=CC=C(C=C2)OC)N

> <PUBCHEM_CACTVS_TPSA>
86.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.12699141

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  13  8
11  15  8
12  16  8
13  17  8
14  15  8
14  16  8
5  17  8
5  7  8
7  8  8
8  10  8
9  11  8
9  12  8

$$$$