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Summary Geometry Related PDB entries

P6Y

Summary

Name:	N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
Formula:	C15 H12 F3 N3 O3
Formal charge:	0
Formula weight:	339.269 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[[4-(oxidanylcarbamoyl)phenyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(C(NCc1ccc(cc1)C(NO)=O)=O)cccnc2C(F)(F)F
InChI	InChI	1.03	InChI=1S/C15H12F3N3O3/c16-15(17,18)12-11(2-1-7-19-12)14(23)20-8-9-3-5-10(6-4-9)13(22)21-24/h1-7,24H,8H2,(H,20,23)(H,21,22)
InChIKey	InChI	1.03	SQBRKYYJEYSFMY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1
SMILES	CACTVS	3.385	ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO

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PDB entries from 2024-07-17

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