About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981720) has the molecular formula C25H19ClN6O5
and a molecular weight of 518.92 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide |
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| PubChem CID | 118981720 |
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| Molecular Formula | C25H19ClN6O5 |
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| Molecular Weight | 518.92 g/mol |
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| Exact Mass | 518.11 |
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| IUPAC Name | 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide |
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| SMILES | COc1cn(C(Cc2ncco2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N |
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| InChI | InChI=1S/C25H19ClN6O5/c1-36-21-13-32(23(33)9-18(21)17-8-15(26)3-2-14(17)11-27)20(10-22-29-6-7-37-22)25(35)31-16-4-5-19(24(28)34)30-12-16/h2-9,12-13,20H,10H2,1H3,(H2,28,34)(H,31,35) |
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| InChIKey | QMPKBTQZNGLQRW-UHFFFAOYSA-N |
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| XLogP | 2.95 |
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| TPSA | 166.13 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 518.92 |
| LogP ≤ 5 | 2.95 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide (CID 118981720) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ncco2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is QMPKBTQZNGLQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O5/c1-36-21-13-32(23(33)9-18(21)17-8-15(26)3-2-14(17)11-27)20(10-22-29-6-7-37-22)25(35)31-16-4-5-19(24(28)34)30-12-16/h2-9,12-13,20H,10H2,1H3,(H2,28,34)(H,31,35).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 518.92 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-2-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).