About 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 175174949) has the molecular formula C21H22ClN7O2
and a molecular weight of 439.91 g/mol. Its IUPAC name is 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
Molecular Properties
| Compound Name | 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride |
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| PubChem CID | 175174949 |
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| Molecular Formula | C21H22ClN7O2 |
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| Molecular Weight | 439.91 g/mol |
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| Exact Mass | 439.15 |
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| IUPAC Name | 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride |
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| SMILES | Cl.Cn1cc(CN2CC3(C2)CN(c2ncc(C(=O)NO)cn2)C3)c2cc(C#N)ccc21 |
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| InChI | InChI=1S/C21H21N7O2.ClH/c1-26-8-16(17-4-14(5-22)2-3-18(17)26)9-27-10-21(11-27)12-28(13-21)20-23-6-15(7-24-20)19(29)25-30;/h2-4,6-8,30H,9-13H2,1H3,(H,25,29);1H |
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| InChIKey | OKRFZXUSOGSRJY-UHFFFAOYSA-N |
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| XLogP | 1.70 |
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| TPSA | 110.31 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 31 |
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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 | 439.91 |
| LogP ≤ 5 | 1.70 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', '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 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 175174949) is 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.Cn1cc(CN2CC3(C2)CN(c2ncc(C(=O)NO)cn2)C3)c2cc(C#N)ccc21.
What is the InChIKey of 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is OKRFZXUSOGSRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2.ClH/c1-26-8-16(17-4-14(5-22)2-3-18(17)26)9-27-10-21(11-27)12-28(13-21)20-23-6-15(7-24-20)19(29)25-30;/h2-4,6-8,30H,9-13H2,1H3,(H,25,29);1H.
What are the key properties of 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 439.91 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 175174949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).