63121014
  -OEChem-04262423222D

 36 37  0     0  0  0  0  0  0999 V2000
    6.3301   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6550    0.0000 N   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
    6.3301   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8450    0.0000 C   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
    3.7320    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -2.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -2.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -3.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -4.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  4 19  1  0  0  0  0
  5 16  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 20  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63121014

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAzhmgY99pLIFACoAjd3dACCiCk1IiAJ2KE+bNiOJnLEvZuHOSju0BvI6aeUUAMKAAAAAgAAAAAAAAAEAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-(2-aminoethoxy)anilino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-(2-aminoethoxy)anilino]-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[3-(2-aminoethoxy)anilino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-[3-(2-aminoethoxy)anilino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[3-(2-azanylethoxy)phenyl]amino]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(2-aminoethoxy)anilino]isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N4O2/c15-5-7-20-12-3-1-2-11(9-12)18-13-8-10(14(16)19)4-6-17-13/h1-4,6,8-9H,5,7,15H2,(H2,16,19)(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
SOJDTZQIRCVSQU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
272.12732577

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
272.30

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

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

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.12732577

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  15  8
11  14  8
13  14  8
15  17  8
17  18  8
18  19  8
4  10  8
4  19  8
7  11  8
7  9  8
8  13  8
8  9  8

$$$$