67195440
  -OEChem-04242402352D

 72 75  0     1  0  0  0  0  0999 V2000
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    8.9282   -2.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
67195440

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
694

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHgAACAAADijhmgY/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhshgLYyCeYmMKPwAACAAAAAACAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3,5-dimethylphenyl)-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(p-tolyl)-3-pyridyl]-N,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3,5-dimethylphenyl)-N-[6-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3,5-dimethylphenyl)-<I>N</I>-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)pyridin-3-yl]-<I>N</I>,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME>
2-(3,5-dimethylphenyl)-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)pyridin-3-yl]-N,2-dimethylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3,5-dimethylphenyl)-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)pyridin-3-yl]-N,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3,5-dimethylphenyl)-N,2-dimethyl-N-[6-(2-methylolpyrrolidino)-4-(p-tolyl)-3-pyridyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H37N3O2/c1-20-9-11-23(12-10-20)26-17-28(33-13-7-8-25(33)19-34)31-18-27(26)32(6)29(35)30(4,5)24-15-21(2)14-22(3)16-24/h9-12,14-18,25,34H,7-8,13,19H2,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
CNFKIWBDHRKERR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
471.28857743

> <PUBCHEM_MOLECULAR_FORMULA>
C30H37N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
471.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C)C)N4CCCC4CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C)C)N4CCCC4CO

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
471.28857743

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  12  8
12  14  8
14  15  8
15  17  8
18  23  8
18  24  8
21  27  8
21  28  8
23  25  8
24  26  8
25  29  8
26  29  8
27  30  8
28  31  8
30  34  8
31  34  8
4  11  8
4  17  8
6  10  3

$$$$