About 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide
5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981673) has the molecular formula C27H21ClF3N5O4
and a molecular weight of 571.94 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide |
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| PubChem CID | 118981673 |
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| Molecular Formula | C27H21ClF3N5O4 |
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| Molecular Weight | 571.94 g/mol |
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| Exact Mass | 571.12 |
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| IUPAC Name | 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide |
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| SMILES | COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)(F)F |
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| InChI | InChI=1S/C27H21ClF3N5O4/c1-40-23-14-36(24(37)12-19(23)18-10-15(28)5-7-20(18)27(29,30)31)22(11-16-4-2-3-9-33-16)26(39)35-17-6-8-21(25(32)38)34-13-17/h2-10,12-14,22H,11H2,1H3,(H2,32,38)(H,35,39) |
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| InChIKey | NTMFWDKZCXRFPB-UHFFFAOYSA-N |
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| XLogP | 4.51 |
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| TPSA | 129.20 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 571.94 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (CID 118981673) is 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is NTMFWDKZCXRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClF3N5O4/c1-40-23-14-36(24(37)12-19(23)18-10-15(28)5-7-20(18)27(29,30)31)22(11-16-4-2-3-9-33-16)26(39)35-17-6-8-21(25(32)38)34-13-17/h2-10,12-14,22H,11H2,1H3,(H2,32,38)(H,35,39).
What are the key properties of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 571.94 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).