About [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone
[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 46900385) has the molecular formula C30H38N6O2
and a molecular weight of 514.67 g/mol. Its IUPAC name is [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
Molecular Properties
| Compound Name | [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone |
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| PubChem CID | 46900385 |
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| Molecular Formula | C30H38N6O2 |
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| Molecular Weight | 514.67 g/mol |
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| Exact Mass | 514.31 |
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| IUPAC Name | [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone |
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| SMILES | O=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCC(O)CC1 |
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| InChI | InChI=1S/C30H38N6O2/c37-25-10-16-36(17-11-25)30(38)21-8-14-35(15-9-21)29-26-7-12-31-20-23(26)18-27(34-29)22-6-13-32-28(19-22)33-24-4-2-1-3-5-24/h6-7,12-13,18-21,24-25,37H,1-5,8-11,14-17H2,(H,32,33) |
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| InChIKey | BLNGFNJDCGJBOS-UHFFFAOYSA-N |
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| XLogP | 4.64 |
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| TPSA | 94.48 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 514.67 |
| LogP ≤ 5 | 4.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 46900385) is [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCC(O)CC1.
What is the InChIKey of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BLNGFNJDCGJBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c37-25-10-16-36(17-11-25)30(38)21-8-14-35(15-9-21)29-26-7-12-31-20-23(26)18-27(34-29)22-6-13-32-28(19-22)33-24-4-2-1-3-5-24/h6-7,12-13,18-21,24-25,37H,1-5,8-11,14-17H2,(H,32,33).
What are the key properties of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 514.67 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 46900385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).