About 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 118981612) has the molecular formula C28H27N7O4
and a molecular weight of 525.57 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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 118981612 |
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| Molecular Formula | C28H27N7O4 |
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| Molecular Weight | 525.57 g/mol |
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| Exact Mass | 525.21 |
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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]-N-methylpyridine-2-carboxamide |
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| SMILES | CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(C)ccc3C#N)cc2=O)cn1 |
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| InChI | InChI=1S/C28H27N7O4/c1-17-5-6-18(14-29)21(11-17)22-13-26(36)35(16-25(22)39-4)24(12-19-9-10-34(3)33-19)28(38)32-20-7-8-23(31-15-20)27(37)30-2/h5-11,13,15-16,24H,12H2,1-4H3,(H,30,37)(H,32,38) |
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| InChIKey | YRSLIBKRUDCLSU-UHFFFAOYSA-N |
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| XLogP | 2.61 |
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| TPSA | 143.93 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 | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 525.57 |
| LogP ≤ 5 | 2.61 |
| 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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide (CID 118981612) is 5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(C)ccc3C#N)cc2=O)cn1.
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]-N-methylpyridine-2-carboxamide?
The InChIKey is YRSLIBKRUDCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O4/c1-17-5-6-18(14-29)21(11-17)22-13-26(36)35(16-25(22)39-4)24(12-19-9-10-34(3)33-19)28(38)32-20-7-8-23(31-15-20)27(37)30-2/h5-11,13,15-16,24H,12H2,1-4H3,(H,30,37)(H,32,38).
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]-N-methylpyridine-2-carboxamide?
5-[[2-[4-(2-cyano-5-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 2.61, 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]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118981612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).