About 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol
1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol (PubChem CID 167597799) has the molecular formula C92H106ClN11O8
and a molecular weight of 1529.38 g/mol. Its IUPAC name is 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol.
Molecular Properties
| Compound Name | 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol |
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| PubChem CID | 167597799 |
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| Molecular Formula | C92H106ClN11O8 |
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| Molecular Weight | 1529.38 g/mol |
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| Exact Mass | 1527.79 |
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| IUPAC Name | 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol |
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| SMILES | Cc1ccc(OCC(O)CN(Cc2ccccc2)Cc2cccnc2C)nc1.Cc1ccc(OCC(O)CN(Cc2ccccc2)Cc2cnccc2C)nc1.Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2C)nc1.Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2Cl)cc1 |
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| InChI | InChI=1S/C23H25ClN2O2.3C23H27N3O2/c1-18-8-10-22(11-9-18)28-17-21(27)16-26(14-19-5-4-12-25-13-19)15-20-6-2-3-7-23(20)24;1-18-9-10-23(25-12-18)28-17-22(27)16-26(14-20-7-5-11-24-13-20)15-21-8-4-3-6-19(21)2;1-18-10-11-23(25-13-18)28-17-22(27)16-26(14-20-7-4-3-5-8-20)15-21-9-6-12-24-19(21)2;1-18-8-9-23(25-12-18)28-17-22(27)16-26(14-20-6-4-3-5-7-20)15-21-13-24-11-10-19(21)2/h2-13,21,27H,14-17H2,1H3;3*3-13,22,27H,14-17H2,1-2H3 |
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| InChIKey | JHYAOOMPMUMBAB-UHFFFAOYSA-N |
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| XLogP | 15.09 |
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| TPSA | 221.03 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 19 |
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| Rotatable Bonds | 36 |
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| Heavy Atoms | 112 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1529.38 |
| LogP ≤ 5 | 15.09 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 19 |
Analyze 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?
The IUPAC name of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol (CID 167597799) is 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol is Cc1ccc(OCC(O)CN(Cc2ccccc2)Cc2cccnc2C)nc1.Cc1ccc(OCC(O)CN(Cc2ccccc2)Cc2cnccc2C)nc1.Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2C)nc1.Cc1ccc(OCC(O)CN(Cc2cccnc2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?
The InChIKey is JHYAOOMPMUMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2.3C23H27N3O2/c1-18-8-10-22(11-9-18)28-17-21(27)16-26(14-19-5-4-12-25-13-19)15-20-6-2-3-7-23(20)24;1-18-9-10-23(25-12-18)28-17-22(27)16-26(14-20-7-5-11-24-13-20)15-21-8-4-3-6-19(21)2;1-18-10-11-23(25-13-18)28-17-22(27)16-26(14-20-7-4-3-5-8-20)15-21-9-6-12-24-19(21)2;1-18-8-9-23(25-12-18)28-17-22(27)16-26(14-20-6-4-3-5-7-20)15-21-13-24-11-10-19(21)2/h2-13,21,27H,14-17H2,1H3;3*3-13,22,27H,14-17H2,1-2H3.
What are the key properties of 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol?
1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol has a molecular weight of 1529.38 g/mol, XLogP of 15.09, 36 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(2-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[benzyl-[(4-methyl-3-pyridinyl)methyl]amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[(5-methyl-2-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 167597799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).