A1AZ9
(6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine
Created: | 2024-07-30 |
Last modified: | 2025-04-30 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 0 |
Bond Count | 38 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine |
Systematic Name (OpenEye OEToolkits) | 6-[2,3-bis(fluoranyl)-5-[(2-fluoranylethylamino)methyl]phenyl]-4-methyl-pyridin-2-amine |
Formula | C15 H16 F3 N3 |
Molecular Weight | 295.303 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(nc(N)c1)c1cc(CNCCF)cc(F)c1F |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc(c1)c2cc(CNCCF)cc(F)c2F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNCCF |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(N)nc(c1)c2cc(CNCCF)cc(F)c2F |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNCCF |
InChI | InChI | 1.06 | InChI=1S/C15H16F3N3/c1-9-4-13(21-14(19)5-9)11-6-10(8-20-3-2-16)7-12(17)15(11)18/h4-7,20H,2-3,8H2,1H3,(H2,19,21) |
InChIKey | InChI | 1.06 | GBQCWLDIOWZEAS-UHFFFAOYSA-N |