62466032
  -OEChem-04252402412D

 40 41  0     0  0  0  0  0  0999 V2000
    3.7320    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -4.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -4.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 21  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4  9  2  0  0  0  0
  4 15  1  0  0  0  0
  5 21  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62466032

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
317

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAThmgY/tpLIFACoAjN3dACCiCk1IiAJ2KE+bNiMJnLEvZuGOSjs0BPI6ae43ADOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[2-(propylamino)-4-pyridyl]methoxy]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[2-(propylamino)-4-pyridinyl]methoxy]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[2-(propylamino)pyridin-4-yl]methoxy]benzamide

> <PUBCHEM_IUPAC_NAME>
4-[[2-(propylamino)pyridin-4-yl]methoxy]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[2-(propylamino)pyridin-4-yl]methoxy]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[2-(propylamino)-4-pyridyl]methoxy]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H19N3O2/c1-2-8-18-15-10-12(7-9-19-15)11-21-14-5-3-13(4-6-14)16(17)20/h3-7,9-10H,2,8,11H2,1H3,(H2,17,20)(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
GGTRQUOFJRRVBI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
285.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C16H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
285.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC1=NC=CC(=C1)COC2=CC=C(C=C2)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC1=NC=CC(=C1)COC2=CC=C(C=C2)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
77.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.147726857

> <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>
12  15  8
14  16  8
14  17  8
16  19  8
17  20  8
18  19  8
18  20  8
4  15  8
4  9  8
8  11  8
8  12  8
9  11  8

$$$$