69705785
  -OEChem-05082416162D

 53 55  0     0  0  0  0  0  0999 V2000
    6.3301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6401   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  2 35  1  0  0  0  0
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  3 20  1  0  0  0  0
  3 38  1  0  0  0  0
  4 10  1  0  0  0  0
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  5  7  1  0  0  0  0
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  9 19  2  0  0  0  0
 10 14  2  0  0  0  0
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 18 44  1  0  0  0  0
 19 23  1  0  0  0  0
 19 45  1  0  0  0  0
 21 25  2  0  0  0  0
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 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69705785

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
502

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAAABwAAAHgAQAAAADQjBngQ+wJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIIPLAlZGEIAhglADIyAcciMCOgAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-isopropyl-6-methyl-phenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-methyl-6-propan-2-ylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-methyl-6-propan-2-ylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2-methyl-6-propan-2-ylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-methyl-6-propan-2-yl-phenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-isopropyl-6-methyl-phenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N3O/c1-15(2)19-8-4-6-16(3)21(19)25-20(26)14-18-7-5-11-24-22(18)17-9-12-23-13-10-17/h4-9,11,15,23H,10,12-14H2,1-3H3,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
UHTNLGPYDMDFKK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
349.215412493

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
349.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3

> <PUBCHEM_CACTVS_TPSA>
54

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
349.215412493

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  14  8
11  16  8
14  21  8
16  22  8
19  23  8
21  25  8
22  23  8
25  26  8
4  10  8
4  26  8
9  11  8
9  19  8

$$$$