About N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 89184659) has the molecular formula C24H25N5O3
and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide |
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| PubChem CID | 89184659 |
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| Molecular Formula | C24H25N5O3 |
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| Molecular Weight | 431.50 g/mol |
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| Exact Mass | 431.20 |
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| IUPAC Name | N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide |
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| SMILES | C=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2cnc(NC(=O)c3cnccc3C)cn2)c1 |
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| InChI | InChI=1S/C24H25N5O3/c1-5-18-6-7-19(31-16(3)10-17(4)32-25)11-20(18)22-13-28-23(14-27-22)29-24(30)21-12-26-9-8-15(21)2/h6-14H,3,5,25H2,1-2,4H3,(H,28,29,30)/b17-10- |
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| InChIKey | MZYFVPGNPSELIR-YVLHZVERSA-N |
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| XLogP | 4.35 |
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| TPSA | 112.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 32 |
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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 | 431.50 |
| LogP ≤ 5 | 4.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 89184659) is N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is C=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2cnc(NC(=O)c3cnccc3C)cn2)c1.
What is the InChIKey of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is MZYFVPGNPSELIR-YVLHZVERSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-5-18-6-7-19(31-16(3)10-17(4)32-25)11-20(18)22-13-28-23(14-27-22)29-24(30)21-12-26-9-8-15(21)2/h6-14H,3,5,25H2,1-2,4H3,(H,28,29,30)/b17-10-.
What are the key properties of N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 89184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).