About 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 118981545) has the molecular formula C26H28N6O5
and a molecular weight of 504.55 g/mol. Its IUPAC name is 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 118981545 |
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| Molecular Formula | C26H28N6O5 |
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| Molecular Weight | 504.55 g/mol |
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| Exact Mass | 504.21 |
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| IUPAC Name | 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide |
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| SMILES | CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(NC)ccc3C#N)cc2=O)cn1 |
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| InChI | InChI=1S/C26H28N6O5/c1-28-17-6-5-16(13-27)19(11-17)20-12-24(33)32(15-23(20)37-4)22(9-10-36-3)26(35)31-18-7-8-21(30-14-18)25(34)29-2/h5-8,11-12,14-15,22,28H,9-10H2,1-4H3,(H,29,34)(H,31,35) |
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| InChIKey | IUVHJURGTQOUHP-UHFFFAOYSA-N |
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| XLogP | 2.41 |
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| TPSA | 147.37 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 10 |
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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 | 504.55 |
| LogP ≤ 5 | 2.41 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 118981545) is 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(NC)ccc3C#N)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is IUVHJURGTQOUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-28-17-6-5-16(13-27)19(11-17)20-12-24(33)32(15-23(20)37-4)22(9-10-36-3)26(35)31-18-7-8-21(30-14-18)25(34)29-2/h5-8,11-12,14-15,22,28H,9-10H2,1-4H3,(H,29,34)(H,31,35).
What are the key properties of 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 2.41, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[2-cyano-5-(methylamino)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118981545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).