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Lasmiditan

C19H18F3N3O2 — CID 11610526

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
SMILESCN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H18F3N3O2/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)
InChIKeyXEDHVZKDSYZQBF-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.28
Rot. Bonds4

About Lasmiditan

Lasmiditan (PubChem CID 11610526) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameLasmiditan
PubChem CID11610526
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
SMILESCN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H18F3N3O2/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)
InChIKeyXEDHVZKDSYZQBF-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-
CID 720149
Lasmiditan Succinate
CID 46927777
3-({3-[(2-Amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
CID 46880493
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
4-fluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 10308815

Frequently Asked Questions

What is the IUPAC name of Lasmiditan?
The IUPAC name of Lasmiditan (CID 11610526) is 2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide.
What is the SMILES notation for Lasmiditan?
The canonical SMILES for Lasmiditan is CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.
What is the InChIKey of Lasmiditan?
The InChIKey is XEDHVZKDSYZQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/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).
What are the key properties of Lasmiditan?
Lasmiditan has a molecular weight of 377.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Lasmiditan is sourced from PubChem (CID 11610526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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