About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine (PubChem CID 141494018) has the molecular formula C28H33N9O2
and a molecular weight of 527.63 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine.
Molecular Properties
| Compound Name | N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine |
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| PubChem CID | 141494018 |
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| Molecular Formula | C28H33N9O2 |
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| Molecular Weight | 527.63 g/mol |
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| Exact Mass | 527.28 |
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| IUPAC Name | N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine |
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| SMILES | CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Oc5cccnc5)nc4cn3)nc2)CC1 |
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| InChI | InChI=1S/C28H33N9O2/c1-35(2)20-7-10-36(11-8-20)21-5-6-25(30-17-21)33-26-16-23-24(19-31-26)32-28(39-22-4-3-9-29-18-22)34-27(23)37-12-14-38-15-13-37/h3-6,9,16-20H,7-8,10-15H2,1-2H3,(H,30,31,33) |
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| InChIKey | OYLJJMNQEMRVGV-UHFFFAOYSA-N |
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| XLogP | 3.72 |
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| TPSA | 104.66 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 527.63 |
| LogP ≤ 5 | 3.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine (CID 141494018) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine is CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Oc5cccnc5)nc4cn3)nc2)CC1.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine?
The InChIKey is OYLJJMNQEMRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N9O2/c1-35(2)20-7-10-36(11-8-20)21-5-6-25(30-17-21)33-26-16-23-24(19-31-26)32-28(39-22-4-3-9-29-18-22)34-27(23)37-12-14-38-15-13-37/h3-6,9,16-20H,7-8,10-15H2,1-2H3,(H,30,31,33).
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine has a molecular weight of 527.63 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 141494018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).