About (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide
(E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide (PubChem CID 11950205) has the molecular formula C21H24N4O3
and a molecular weight of 380.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide.
Molecular Properties
| Compound Name | (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide |
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| PubChem CID | 11950205 |
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| Molecular Formula | C21H24N4O3 |
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| Molecular Weight | 380.45 g/mol |
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| Exact Mass | 380.18 |
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| IUPAC Name | (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide |
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| SMILES | COCCNc1c(CCc2ccccc2)nc2ccc(/C=C/C(=O)NO)cn12 |
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| InChI | InChI=1S/C21H24N4O3/c1-28-14-13-22-21-18(10-7-16-5-3-2-4-6-16)23-19-11-8-17(15-25(19)21)9-12-20(26)24-27/h2-6,8-9,11-12,15,22,27H,7,10,13-14H2,1H3,(H,24,26)/b12-9+ |
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| InChIKey | WUEQFUCCVISFDD-FMIVXFBMSA-N |
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| XLogP | 2.70 |
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| TPSA | 87.89 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 380.45 |
| LogP ≤ 5 | 2.70 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide (CID 11950205) is (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide is COCCNc1c(CCc2ccccc2)nc2ccc(/C=C/C(=O)NO)cn12.
What is the InChIKey of (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide?
The InChIKey is WUEQFUCCVISFDD-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-14-13-22-21-18(10-7-16-5-3-2-4-6-16)23-19-11-8-17(15-25(19)21)9-12-20(26)24-27/h2-6,8-9,11-12,15,22,27H,7,10,13-14H2,1H3,(H,24,26)/b12-9+.
What are the key properties of (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide?
(E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide has a molecular weight of 380.45 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-(2-methoxyethylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-6-yl]prop-2-enamide is sourced from PubChem (CID 11950205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).