About 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981685) has the molecular formula C27H25N7O4
and a molecular weight of 511.54 g/mol. Its IUPAC name is 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide |
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| PubChem CID | 118981685 |
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| Molecular Formula | C27H25N7O4 |
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| Molecular Weight | 511.54 g/mol |
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| Exact Mass | 511.20 |
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| IUPAC Name | 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide |
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| SMILES | COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(C)ccc1C#N |
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| InChI | InChI=1S/C27H25N7O4/c1-16-4-5-17(13-28)20(10-16)21-12-25(35)34(15-24(21)38-3)23(11-18-8-9-33(2)32-18)27(37)31-19-6-7-22(26(29)36)30-14-19/h4-10,12,14-15,23H,11H2,1-3H3,(H2,29,36)(H,31,37) |
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| InChIKey | FITOKHFITXAQTH-UHFFFAOYSA-N |
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| XLogP | 2.35 |
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| TPSA | 157.92 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 | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 511.54 |
| LogP ≤ 5 | 2.35 |
| 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-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (CID 118981685) is 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(C)ccc1C#N.
What is the InChIKey of 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is FITOKHFITXAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O4/c1-16-4-5-17(13-28)20(10-16)21-12-25(35)34(15-24(21)38-3)23(11-18-8-9-33(2)32-18)27(37)31-19-6-7-22(26(29)36)30-14-19/h4-10,12,14-15,23H,11H2,1-3H3,(H2,29,36)(H,31,37).
What are the key properties of 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 511.54 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).