Molecular Identity
Flupirtine
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID: 53276
N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid ethyl ester is an aminopyridine.
2D Structure
Properties
C15H17FN4O2
Molecular Formula
304.32
Molecular Weight
g/mol
304.1336
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
89.3
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
350
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)NIsomeric SMILES
SMILES: CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)NSynonyms(20)
Flupirtine56995-20-1Flupirtinumethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamateflupirtinaFlupirtinteMOH3ET196HDTXSID4048436W-2964ethyl 2-amino-6-((p-fluorobenzyl)amino)-3-pyridinecarbamateflupirtin maleateethyl N-(2-amino-6-((4-fluorophenyl)methylamino)pyridin-3-yl)carbamateRefChem:141020DTXCID4028410N02BG07
Data from PubChem (NCBI)
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