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N6F : Summary
Code ![](/pdbe/static/images/help.png)
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N6F
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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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(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide
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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 H16 Cl N3 O2
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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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317.77 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 |
O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1 |
SMILES
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CACTVS |
3.385 |
C[CH](C(=O)Nc1cnccc1NC(C)=O)c2cccc(Cl)c2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2NC(=O)C |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H](C(=O)Nc1cnccc1NC(C)=O)c2cccc(Cl)c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H](c1cccc(c1)Cl)C(=O)Nc2cnccc2NC(=O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H16ClN3O2/c1-10(12-4-3-5-13(17)8-12)16(22)20-15-9-18-7-6-14(15)19-11(2)21/h3-10H,1-2H3,(H,20,22)(H,18,19,21)/t10-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YRFAWMIACMUIGK-JTQLQIEISA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (22 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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2023-08-16
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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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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