Home Carbonyls Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-, hydrochloride (1

Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-, hydrochloride (1

CAS No.:
613677-28-4
Catalog Number:
AG00ECG9
Molecular Formula:
C19H19ClF3N3O2
Molecular Weight:
413.8213
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Product Description
Catalog Number:
AG00ECG9
Chemical Name:
Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-, hydrochloride (1
CAS Number:
613677-28-4
Molecular Formula:
C19H19ClF3N3O2
Molecular Weight:
413.8213
MDL Number:
MFCD30377209
IUPAC Name:
2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide;hydrochloride
InChI:
InChI=1S/C19H18F3N3O2.ClH/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1H
InChI Key:
YBTPRLDGGGYWIP-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F.Cl
EC Number:
947-092-7
Properties
Complexity:
530  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.112g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
413.825g/mol
Monoisotopic Mass:
413.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
The 5-HT1F receptor agonist lasmiditan as a potential treatment of migraine attacks: a review of two placebo-controlled phase II trials. The journal of headache and pain 20120601
Defining and refining 5-HT receptor targets for migraine. The Lancet. Neurology 20120501
Efficacy and tolerability of lasmiditan, an oral 5-HT(1F) receptor agonist, for the acute treatment of migraine: a phase 2 randomised, placebo-controlled, parallel-group, dose-ranging study. The Lancet. Neurology 20120501
Molecule of the month. Lasmiditan hydrochloride. Drug news & perspectives 20100901
Properties