XFM
6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine
Created: | 2010-05-27 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 51 |
Chiral Atom Count | 0 |
Bond Count | 53 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine |
Systematic Name (OpenEye OEToolkits) | 6-[2-[6-[2-(2-azanyl-6-methyl-pyridin-4-yl)ethyl]pyridin-2-yl]ethyl]-4-methyl-pyridin-2-amine |
Formula | C21 H25 N5 |
Molecular Weight | 347.457 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(cc(cc1N)CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C |
SMILES | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C |
Canonical SMILES | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C |
InChI | InChI | 1.03 | InChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24) |
InChIKey | InChI | 1.03 | ZMKGFXFDYMNDSP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 46892825 |
ChEMBL | CHEMBL1615291 |