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N′-Methylnicotinamide

N′-Methylnicotinamide structure

CAS No:
114-33-0
Formula:
C7H8N2O
Chemical Name:
N′-Methylnicotinamide
Synonyms:
3-Pyridinecarboxamide,N-methyl-;Nicotinamide,N-methyl-;N-Methyl-3-pyridinecarboxamide;Nicotinic acid methylamide;3-(Methylcarbamoyl)pyridine;N-Methylnicotinamide;N′-Methylnicotinamide;SR 4415;3-(N-Methylcarbamoyl)pyridine;NSC 66521
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

white to light yellow-beige crystalline powderChEBI: A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group.

Solid

N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. It has a role as a metabolite. It derives from a nicotinamide.|N-methylnicotinamide is an experimental drug with no approved indication or marketed formulation. It is a metabolite of niacinamide/nicotinamide and niacin/nicotinic acid (vitamin B3), and as such N-methylnicotinamide is used to diagnose niacin deficiency by measuring N-methylnicotinamide in the urine.

N′-Methylnicotinamide Basic Attributes

Molecular Weight：

136.15

Exact Mass：

136.15

EC Number：

204-046-4

UNII：

X3I82S5L8I

NSC Number：

66521

ATC Code：

A - Alimentary tract and metabolism

HScode：

2933399090

Characteristics

PSA：

XLogP3：

0.00

Appearance：

Solid

Density：

1.1778 (rough estimate)

Melting Point：

103.5 °C

Boiling Point：

250.42°C (rough estimate)

Flash Point：

164.1ºC

Refractive Index：

1.5769 (estimate)

Vapor Pressure：

5.3E-05mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Indication：

N-methylnicotinamide is an experimental drug with no approved indication.

Absorption：

N-methylnicotinamide is excreted in the urine.

MeSH Entry Terms：

N-METHYL-NICOTINAMIDE

Computed Properties

Molecular Weight:136.15
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:136.063662883
Monoisotopic Mass:136.063662883
Topological Polar Surface Area:42
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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