About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one (PubChem CID 66831802) has the molecular formula C25H30ClN5O3
and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one.
Molecular Properties
| Compound Name | 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one |
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| PubChem CID | 66831802 |
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| Molecular Formula | C25H30ClN5O3 |
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| Molecular Weight | 484.00 g/mol |
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| Exact Mass | 483.20 |
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| IUPAC Name | 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one |
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| SMILES | COC1CCC(NCCNc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)CC1 |
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| InChI | InChI=1S/C25H30ClN5O3/c1-33-22-7-4-19(5-8-22)27-11-12-28-24-9-6-21(16-30-24)31-13-10-23(14-25(31)32)34-17-20-3-2-18(26)15-29-20/h2-3,6,9-10,13-16,19,22,27H,4-5,7-8,11-12,17H2,1H3,(H,28,30) |
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| InChIKey | BUQRVAIKOWHHES-UHFFFAOYSA-N |
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| XLogP | 3.82 |
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| TPSA | 90.30 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 34 |
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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 | 484.00 |
| LogP ≤ 5 | 3.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one (CID 66831802) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one is COC1CCC(NCCNc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)CC1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
The InChIKey is BUQRVAIKOWHHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-33-22-7-4-19(5-8-22)27-11-12-28-24-9-6-21(16-30-24)31-13-10-23(14-25(31)32)34-17-20-3-2-18(26)15-29-20/h2-3,6,9-10,13-16,19,22,27H,4-5,7-8,11-12,17H2,1H3,(H,28,30).
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one has a molecular weight of 484.00 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 66831802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).