About N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide
N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide (PubChem CID 67797829) has the molecular formula C35H34ClN3O4
and a molecular weight of 596.13 g/mol. Its IUPAC name is N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide |
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| PubChem CID | 67797829 |
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| Molecular Formula | C35H34ClN3O4 |
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| Molecular Weight | 596.13 g/mol |
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| Exact Mass | 595.22 |
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| IUPAC Name | N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide |
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| SMILES | CC(CNCCNC(=O)c1cc2cccc(OCc3ccccn3)c2cc1O)OCc1ccccc1-c1ccc(Cl)cc1 |
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| InChI | InChI=1S/C35H34ClN3O4/c1-24(42-22-27-7-2-3-10-30(27)25-12-14-28(36)15-13-25)21-37-17-18-39-35(41)32-19-26-8-6-11-34(31(26)20-33(32)40)43-23-29-9-4-5-16-38-29/h2-16,19-20,24,37,40H,17-18,21-23H2,1H3,(H,39,41) |
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| InChIKey | OQNPQGWGWDKKFY-UHFFFAOYSA-N |
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| XLogP | 6.76 |
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| TPSA | 92.71 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 596.13 |
| LogP ≤ 5 | 6.76 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
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 N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide?
The IUPAC name of N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide (CID 67797829) is N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide is CC(CNCCNC(=O)c1cc2cccc(OCc3ccccn3)c2cc1O)OCc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide?
The InChIKey is OQNPQGWGWDKKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34ClN3O4/c1-24(42-22-27-7-2-3-10-30(27)25-12-14-28(36)15-13-25)21-37-17-18-39-35(41)32-19-26-8-6-11-34(31(26)20-33(32)40)43-23-29-9-4-5-16-38-29/h2-16,19-20,24,37,40H,17-18,21-23H2,1H3,(H,39,41).
What are the key properties of N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide?
N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide has a molecular weight of 596.13 g/mol, XLogP of 6.76, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-(4-chlorophenyl)phenyl]methoxy]propylamino]ethyl]-3-hydroxy-5-(pyridin-2-ylmethoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 67797829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).