67502467
  -OEChem-05082413522D

 49 51  0     0  0  0  0  0  0999 V2000
    3.4030    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5535    3.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3764    4.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256    4.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    3.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075    5.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362    5.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    5.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    5.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    2.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    2.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -5.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -5.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -4.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 37  1  0  0  0  0
  4 16  2  0  0  0  0
  4 17  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  5 40  1  0  0  0  0
  6 18  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67502467

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAAAAABwAAAHgAQAAAADQzBmgY/9pLIFACoAjd3dACCiCk1IiAJ2KE+bNiMJnrE/duENahs0BPI6ee4QQAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(cyclopentylmethylamino)-6-(4-methoxyanilino)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(cyclopentylmethylamino)-6-(4-methoxyanilino)-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(cyclopentylmethylamino)-6-(4-methoxyanilino)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(cyclopentylmethylamino)-6-(4-methoxyanilino)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(cyclopentylmethylamino)-6-[(4-methoxyphenyl)amino]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(cyclopentylmethylamino)-6-(p-anisidino)nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H24N4O2/c1-25-15-8-6-14(7-9-15)23-18-10-17(16(12-22-18)19(20)24)21-11-13-4-2-3-5-13/h6-10,12-13H,2-5,11H2,1H3,(H2,20,24)(H2,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
ARAVBRAUFYHREC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
340.18992602

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
340.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC2=NC=C(C(=C2)NCC3CCCC3)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC2=NC=C(C(=C2)NCC3CCCC3)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
89.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.18992602

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
13  14  8
13  15  8
14  17  8
15  16  8
19  20  8
19  21  8
20  22  8
21  23  8
22  24  8
23  24  8
4  16  8
4  17  8

$$$$