Tryptamide

HCID 65768

Notes Reactions

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Basic information

CAS: 29876-14-0
Standard SMILES: O=C(NCCc1c[nH]c2ccccc12)c1cccnc1
InChIKey: ZDAZUJBASMCUAK-UHFFFAOYSA-N
Molecular formula: C16H15N3O
Average molar mass: 265.31 g/mol
Monoisotopic mass: 265.1215121

Overview

Nicotredole is a small molecule drug. Nicotredole has a monoisotopic molecular weight of 265.12 Da.

Names & identifiers

Preferred name: Tryptamide
IUPAC: N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
English name: Nicotredole
Molecular formula: C16H15N3O
Molecular weight: 265.31

Names & synonyms

Nicotredole29876-14-0TryptamideN-nicotinoyltryptamineDTXSID80456980F1T12OCLXNSC-138472DTXCID6025698RefChem:165763N-(2-(1H-Indol-3-yl)ethyl)nicotinamideN-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamideNicotredole [INN]

Show more names

Nicotredole, 10 mM in DMSON-[2-(3-indolyl)ethyl]nicotinamide3-Pyridinecarboxamide, N-[2-(1H-indol-3-yl)ethyl]-N-(2-(1H-Indol-3-yl)ethyl)nicotinamide , Nicotredoleanti-inflammatory,Nicotredole,analgesic,ulcerogenic,inhibit,Inhibitor

MFCD00841846N-(2-Indol-3-ylethyl)nicotinamideN-[2-(1H-indol-3-yl)ethyl]nicotinamideMLS000099033NCGC00061506-02SMR000070447N-NicotinoyltryptamideN-3-Pyridoyltryptamine

Database identifiers

CAS: 29876-14-0
PubChem CID: 65768
DTXSID: DTXSID8045698
ChEMBL: CHEMBL1491339
UNII: 0F1T12OCLX
Nikkaji: J476.469B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 334

Physicochemical properties

Boiling point: 408.53 °C · 408.53°C (rough estimate)
Density: 1.0944 · 1.0944 (rough estimate)
refractive index: 1.65 · 1.6500 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: 25 mg/mL · DMSO: 25 mg/mL (94.23 mM)
form: Solid
color: Light brown to brown
FDA UNII: 0 F1T12OCLX · 0F1T12OCLX
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

UsesNicotredole (Tryptamide) is an orally active anti-inflammatory and analgesic agent. Nicotredole exhibits evident antiinflammatory effects of potency comparable with Phenylbutazone. Nicotredole has only weak ulcerogenic activity[1][2][3].