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Prestwick3_000119

Prestwick3_000119

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Also known as: 32828-81-2, 4-methoxy-n,n'-bis(3-pyridinylmethyl)-1,3-benzenedicarboxamide, 4-methoxy-1-n,3-n-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide, G-137, Nsc-304384, 654g2vci4q

Molecular Formula

C₂₁H₂₀N₄O₃

Molecular Weight

376.4 g/mol

InChI Key

KYWCWBXGRWWINE-UHFFFAOYSA-N

FDA UNII

654G2VCI4Q

1 2D Structure

Prestwick3_000119

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

2.1.2 InChI

InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)

2.1.3 InChI Key

KYWCWBXGRWWINE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3

2.2 Other Identifiers

2.2.1 UNII

654G2VCI4Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. G 137

2. G-137

2.3.2 Depositor-Supplied Synonyms

1. 32828-81-2

2. 4-methoxy-n,n'-bis(3-pyridinylmethyl)-1,3-benzenedicarboxamide

3. 4-methoxy-1-n,3-n-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

4. G-137

5. Nsc-304384

6. 654g2vci4q

7. Einecs 251-245-7

8. Picotamide [inn:ban]

9. Brn 0499268

10. Unii-654g2vci4q

11. 4-methoxy-n,n'-bis(3-pyridylmethyl)isophthaldiamide

12. Sr-01000076086

13. G 137

14. N,n'-bis(3-picolyl)-4-methoxyisophthalamide

15. Plactidil (tn)

16. 4-methoxy-n,n'-bis(3-pyridylmethyl)isophthalamide

17. Picotamide (ban)

18. Isophthalamide, 4-methoxy-n,n'-bis(3-pyridylmethyl)-

19. Picotamide [mi]

20. N,n'-bis(3-pyridinylmethyl)-4-methoxy-1,3-benzenedicarboxamide

21. Prestwick0_000119

22. Prestwick1_000119

23. Prestwick2_000119

24. Prestwick3_000119

25. Lopac-p-8477

26. Picotamide [mart.]

27. Picotamide [who-dd]

28. Lopac0_001003

29. Bspbio_000138

30. N,n'-bis(3-pyridylmethyl)-4-methoxyisophthalamide

31. Schembl137025

32. Spbio_002077

33. Bpbio1_000152

34. Chembl1257015

35. Chebi:93175

36. Gtpl11379

37. Dtxsid40186498

38. Hms2090l18

39. Hms3263i07

40. Zinc538174

41. Tox21_501003

42. 1,3-benzenedicarboxamide, N,n'-bis(3-pyridinylmethyl)-4-methoxy-

43. Bdbm50103507

44. Nsc304384

45. Ccg-205083

46. Db13327

47. Lp01003

48. Nsc 304384

49. Sdccgsbi-0050976.p003

50. (s)-(-)-2-methoxypropionicacid

51. Ncgc00015847-01

52. Ncgc00015847-02

53. Ncgc00015847-03

54. Ncgc00015847-04

55. Ncgc00015847-05

56. Ncgc00094297-01

57. Ncgc00094297-02

58. Ncgc00261688-01

59. Sbi-0050976.p002

60. Db-048275

61. Eu-0101003

62. Ft-0630565

63. D07140

64. P 8477

65. 828p812

66. L013375

67. J-018896

68. Q1235921

69. Sr-01000076086-1

70. 4-methoxy-n1,n3-bis(pyridin-3-ylmethyl)isophthalamide

71. Brd-k67277431-002-03-0

72. 1,3-benzenedicarboxamide, 4-methoxy-n,n'-bis(3-pyridinylmethyl)-

73. 4-methoxy-n1,n3-bis(3-pyridinylmethyl)benzene-1,3-dicarboxamide

74. 1,3-benzenedicarboxamide, 4-methoxy-n1,n3-bis(3-pyridinylmethyl)-

75. 1085306-93-9

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀N₄O₃
Molecular Weight	376.4 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	376.15354051 g/mol
Monoisotopic Mass	376.15354051 g/mol
Topological Polar Surface Area	93.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	516
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

4.2 ATC Code

B - Blood and blood forming organs

B01 - Antithrombotic agents

B01A - Antithrombotic agents

B01AC - Platelet aggregation inhibitors excl. heparin

B01AC03 - Picotamide