About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine (PubChem CID 141494042) has the molecular formula C28H38N8O3
and a molecular weight of 534.67 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine.
Molecular Properties
| Compound Name | N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine |
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| PubChem CID | 141494042 |
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| Molecular Formula | C28H38N8O3 |
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| Molecular Weight | 534.67 g/mol |
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| Exact Mass | 534.31 |
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| IUPAC Name | N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine |
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| SMILES | CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(OC5CCOCC5)nc4cn3)nc2)CC1 |
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| InChI | InChI=1S/C28H38N8O3/c1-34(2)20-5-9-35(10-6-20)21-3-4-25(29-18-21)32-26-17-23-24(19-30-26)31-28(39-22-7-13-37-14-8-22)33-27(23)36-11-15-38-16-12-36/h3-4,17-20,22H,5-16H2,1-2H3,(H,29,30,32) |
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| InChIKey | APAHFHKIFRURKF-UHFFFAOYSA-N |
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| XLogP | 3.09 |
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| TPSA | 101.00 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 | 534.67 |
| LogP ≤ 5 | 3.09 |
| 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-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine (CID 141494042) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[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-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine is CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(OC5CCOCC5)nc4cn3)nc2)CC1.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine?
The InChIKey is APAHFHKIFRURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N8O3/c1-34(2)20-5-9-35(10-6-20)21-3-4-25(29-18-21)32-26-17-23-24(19-30-26)31-28(39-22-7-13-37-14-8-22)33-27(23)36-11-15-38-16-12-36/h3-4,17-20,22H,5-16H2,1-2H3,(H,29,30,32).
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine has a molecular weight of 534.67 g/mol, XLogP of 3.09, 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-(oxan-4-yloxy)pyrido[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 141494042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).