About N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (PubChem CID 122690696) has the molecular formula C30H29N7O3
and a molecular weight of 535.61 g/mol. Its IUPAC name is N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide |
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| PubChem CID | 122690696 |
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| Molecular Formula | C30H29N7O3 |
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| Molecular Weight | 535.61 g/mol |
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| Exact Mass | 535.23 |
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| IUPAC Name | N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide |
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| SMILES | CC(=O)N1CCOC(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 |
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| InChI | InChI=1S/C30H29N7O3/c1-19(38)37-11-12-40-23(18-37)16-34-30(39)24-5-7-31-17-27(24)35-22-14-25(29-26(15-22)32-8-9-33-29)21-4-3-20-6-10-36(2)28(20)13-21/h3-10,13-15,17,23,35H,11-12,16,18H2,1-2H3,(H,34,39) |
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| InChIKey | IMQDTQGFCHAOHO-UHFFFAOYSA-N |
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| XLogP | 3.90 |
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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 | 6 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 535.61 |
| LogP ≤ 5 | 3.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (CID 122690696) is N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is CC(=O)N1CCOC(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.
What is the InChIKey of N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The InChIKey is IMQDTQGFCHAOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O3/c1-19(38)37-11-12-40-23(18-37)16-34-30(39)24-5-7-31-17-27(24)35-22-14-25(29-26(15-22)32-8-9-33-29)21-4-3-20-6-10-36(2)28(20)13-21/h3-10,13-15,17,23,35H,11-12,16,18H2,1-2H3,(H,34,39).
What are the key properties of N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide has a molecular weight of 535.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylmorpholin-2-yl)methyl]-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 122690696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).