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Molecule record

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

C30H32F6N4O

578.60 g/mol

Loading structure

Molecular properties

Formula
C30H32F6N4O
Molar mass
578.60 g·mol−1
Exact mass
578.2480 Da
14
PubChem CID
6451149

Functional groups

Alkane / alkyl carbon
Alkyl halide
Amide
Aromatic ring
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
  • 290297-26-6
  • 7732P08TIR
  • AKYNZEO CAPSULE COMPONENT NETUPITANT
  • C30H32F6N4O
  • CHEBI:85155
  • CHEMBL206253
Show all 24 synonyms
  • D05152
  • DTXCID60105762
  • DTXSID50183271
  • MFCD25976831
  • NETUPITANT COMPONENT AKYNZEO CAPSULE
  • NETUPITANT [MI]
  • Netupitant
  • Netupitant (Standard)
  • Netupitant [USAN:INN]
  • Netupitant [USAN]
  • RefChem:832394
  • Ro 67-3189/000
  • Ro-67-3189
  • Ro-673189000
  • UNII-7732P08TIR
  • netupitantum

Structure identifiers

Canonical SMILES
Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Isomeric SMILES
CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C
InChI
InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
InChIKey
WAXQNWCZJDTGBU-UHFFFAOYSA-N
PubChem CID
6451149

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record