56049454
  -OEChem-04252405152D

 56 59  0     0  0  0  0  0  0999 V2000
   15.0621   -0.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    2.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8038    2.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701   -0.2967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9320    1.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701    1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6640    1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6640    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7195   -1.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1180   -1.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8067   -1.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4082   -1.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5773    2.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6712    2.2452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7330    1.5479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1958   -0.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9928   -0.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5761   -2.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -3.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8161   -2.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296    0.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3258   -0.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322    1.5908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318   -0.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383    2.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    1.5934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.4088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    1.6042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  2  0  0  0  0
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  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 41  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  2  0  0  0  0
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  8 24  1  0  0  0  0
  8 48  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
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 13 22  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 20  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 25  2  0  0  0  0
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 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
56049454

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
833

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8WIEAAAAAAACxwAAAHgAQAAAADADBmgQ/sJPIEACoAjN3dACCgCk1AiAJ2KEoRNiIIPrA3ZGEIYhohyLIyecYgwAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-dioxo-N-[[4-[(2-oxo-1-pyridyl)methyl]phenyl]methyl]-1-propyl-pyrido[2,3-d]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,4-dioxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-propyl-6-pyrido[2,3-d]pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,4-dioxo-<I>N</I>-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
2,4-dioxo-N-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4-bis(oxidanylidene)-N-[[4-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]-1-propyl-pyrido[2,3-d]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-diketo-N-[4-[(2-keto-1-pyridyl)methyl]benzyl]-1-propyl-pyrido[2,3-d]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N5O4/c1-2-10-29-21-19(23(32)27-24(29)33)12-18(14-25-21)22(31)26-13-16-6-8-17(9-7-16)15-28-11-4-3-5-20(28)30/h3-9,11-12,14H,2,10,13,15H2,1H3,(H,26,31)(H,27,32,33)

> <PUBCHEM_IUPAC_INCHIKEY>
UQQBUJWOPHLSPO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
445.17500423

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
445.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C2=C(C=C(C=N2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=CC4=O)C(=O)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C2=C(C=C(C=N2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=CC4=O)C(=O)NC1=O

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
445.17500423

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
11  12  8
12  15  8
12  17  8
15  16  8
16  23  8
18  27  8
18  28  8
19  25  8
19  26  8
25  27  8
26  28  8
29  31  8
30  32  8
31  33  8
32  33  8
5  11  8
5  14  8
6  14  8
6  17  8
7  11  8
7  23  8
9  29  8
9  30  8

$$$$