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Summary Geometry Related PDB entries

O4F

Summary

Name:	N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide
Formula:	C16 H20 N4 O
Formal charge:	0
Formula weight:	284.356 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	VADYKWPOUVEKIU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N
SMILES	CACTVS	3.385	Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N

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PDB entries from 2024-05-29

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