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O4F : Summary
Code ![](/pdbe/static/images/help.png)
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O4F
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C16 H20 N4 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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284.356 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C |
SMILES
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CACTVS |
3.385 |
Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H20N4O/c1-12-10-18-7-2-14(12)20-8-3-13(4-9-20)15(21)19-16(11-17)5-6-16/h2,7,10,13H,3-6,8-9H2,1H3,(H,19,21) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VADYKWPOUVEKIU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (21 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2022-04-21
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Last modified at ![](/pdbe/static/images/help.png)
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2023-04-21
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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