About (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
(2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide (PubChem CID 86303026) has the molecular formula C28H29N7O3
and a molecular weight of 511.59 g/mol. Its IUPAC name is (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide.
Molecular Properties
| Compound Name | (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide |
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| PubChem CID | 86303026 |
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| Molecular Formula | C28H29N7O3 |
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| Molecular Weight | 511.59 g/mol |
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| Exact Mass | 511.23 |
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| IUPAC Name | (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide |
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| SMILES | C[C@H](Nc1cnc(-c2ccnn2C)cc1C(=O)N1CCOCC1)C(=O)Nc1ccc(-c2ccccc2)cn1 |
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| InChI | InChI=1S/C28H29N7O3/c1-19(27(36)33-26-9-8-21(17-30-26)20-6-4-3-5-7-20)32-24-18-29-23(25-10-11-31-34(25)2)16-22(24)28(37)35-12-14-38-15-13-35/h3-11,16-19,32H,12-15H2,1-2H3,(H,30,33,36)/t19-/m0/s1 |
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| InChIKey | YNBOMCASOYYNJG-IBGZPJMESA-N |
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| XLogP | 3.46 |
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| TPSA | 114.27 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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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 | 511.59 |
| LogP ≤ 5 | 3.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide (CID 86303026) is (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide is C[C@H](Nc1cnc(-c2ccnn2C)cc1C(=O)N1CCOCC1)C(=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide?
The InChIKey is YNBOMCASOYYNJG-IBGZPJMESA-N. The full InChI is InChI=1S/C28H29N7O3/c1-19(27(36)33-26-9-8-21(17-30-26)20-6-4-3-5-7-20)32-24-18-29-23(25-10-11-31-34(25)2)16-22(24)28(37)35-12-14-38-15-13-35/h3-11,16-19,32H,12-15H2,1-2H3,(H,30,33,36)/t19-/m0/s1.
What are the key properties of (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide?
(2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide has a molecular weight of 511.59 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide is sourced from PubChem (CID 86303026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).