N-(Hydroxymethyl)Nicotinamide

Synopsis, Chemistry

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Also known as: 3569-99-1, Nicoform, N-hydroxymethylnicotinamide, Nikomethamide, Bilamid, Nicodine

Molecular Formula

C₇H₈N₂O₂

Molecular Weight

152.15 g/mol

InChI Key

JRFKIOFLCXKVOT-UHFFFAOYSA-N

FDA UNII

1N1YGM997E

1 2D Structure

N-(Hydroxymethyl)Nicotinamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(hydroxymethyl)pyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)

2.1.3 InChI Key

JRFKIOFLCXKVOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CN=C1)C(=O)NCO

2.2 Other Identifiers

2.2.1 UNII

1N1YGM997E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Felosan

2. Nicotinylhydroxymethylamide

2.3.2 Depositor-Supplied Synonyms

1. 3569-99-1

2. Nicoform

3. N-hydroxymethylnicotinamide

4. Nikomethamide

5. Bilamid

6. Nicodine

7. Nicodin

8. Nikodin

9. Coloton

10. Nikoform

11. Choligen

12. N-(hydroxymethyl)pyridine-3-carboxamide

13. Hydroxymethylnicotinamide

14. Nicotinamide, N-(hydroxymethyl)-

15. 3-pyridinecarboxylic Acid Hydroxymethylamide

16. N-(hydroxymethyl)-3-pyridinecarboxamide

17. 3-pyridinecarboxamide, N-(hydroxymethyl)-

18. N-(hydroxymethyl)-nicotinamide

19. Bilizorin

20. Bilocid

21. Cholamid

22. N-hydroxymethyl-nicotinamide

23. N-(hytroxymethy)micotinamide

24. 1n1ygm997e

25. Isochol

26. Mfcd00010437

27. Nicometamide

28. Bidbilan

29. Savatin

30. Nifoform

31. Cholamide (pyridine Deriv.)

32. Nicotinsaeurehydroxymethylamid

33. Nicotinylmethylamide

34. Einecs 222-668-4

35. C 1094

36. Brn 0128633

37. Unii-1n1ygm997e

38. Cholamid (tn)

39. Nikoform (tn)

40. Spectrum_000376

41. Specplus_000641

42. Nicotinylmethylamide,(s)

43. Spectrum2_001197

44. Spectrum3_001014

45. Spectrum4_001142

46. Spectrum5_001885

47. Oprea1_521547

48. Oprea1_687785

49. Bspbio_002767

50. Kbiogr_001683

51. Kbioss_000856

52. Mls002695904

53. Chembl92024

54. Divk1c_006737

55. Schembl352358

56. Spectrum2300137

57. Spbio_001273

58. Jrfkioflcxkvot-uhfffaoysa-

59. Kbio1_001681

60. Kbio2_000856

61. Kbio2_003424

62. Kbio2_005992

63. Kbio3_001987

64. Dtxsid20189205

65. Chebi:134775

66. Zinc409246

67. Albb-023192

68. N-(hydroxymethyl)nicotinamide, 98%

69. Ccg-40316

70. S5390

71. Akos000121436

72. Ac-6974

73. Ncgc00095786-01

74. Ncgc00095786-02

75. As-59855

76. Hydroxymethylnicotinamide [who-dd]

77. Smr001562101

78. Sy051839

79. N-(hydroxymethyl)nicotinamide [mi]

80. Hy-116993

81. A6230

82. Cs-0066962

83. Ft-0629289

84. H1001

85. D08051

86. D90986

87. W-106656

88. Q27252632

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₂O₂
Molecular Weight	152.15 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.058577502 g/mol
Monoisotopic Mass	152.058577502 g/mol
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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