About 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine (PubChem CID 90164810) has the molecular formula C24H36N6
and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine.
Molecular Properties
| Compound Name | 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine |
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| PubChem CID | 90164810 |
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| Molecular Formula | C24H36N6 |
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| Molecular Weight | 408.59 g/mol |
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| Exact Mass | 408.30 |
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| IUPAC Name | 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine |
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| SMILES | CN(C)c1ccnc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2cc(N(C)C)ccn2)c1 |
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| InChI | InChI=1S/C24H36N6/c1-27(2)21-9-11-25-19(15-21)17-29-13-5-7-23(29)24-8-6-14-30(24)18-20-16-22(28(3)4)10-12-26-20/h9-12,15-16,23-24H,5-8,13-14,17-18H2,1-4H3/t23-,24-/m1/s1 |
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| InChIKey | DXQHFACJPHPARX-DNQXCXABSA-N |
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| XLogP | 3.24 |
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| TPSA | 38.74 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 408.59 |
| LogP ≤ 5 | 3.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine (CID 90164810) is 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2cc(N(C)C)ccn2)c1.
What is the InChIKey of 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is DXQHFACJPHPARX-DNQXCXABSA-N. The full InChI is InChI=1S/C24H36N6/c1-27(2)21-9-11-25-19(15-21)17-29-13-5-7-23(29)24-8-6-14-30(24)18-20-16-22(28(3)4)10-12-26-20/h9-12,15-16,23-24H,5-8,13-14,17-18H2,1-4H3/t23-,24-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine?
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 408.59 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 90164810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).