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Summary Geometry Related PDB entries

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Summary

Name:	N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Formula:	C24 H19 F6 N3 O2
Formal charge:	0
Formula weight:	495.417 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[(1~{S})-2-(dimethylamino)-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(c1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F
InChI	InChI	1.06	InChI=1S/C24H19F6N3O2/c1-33(2)22(35)20(15-4-3-5-17(12-15)24(28,29)30)32-21(34)19-13-31-11-10-18(19)14-6-8-16(9-7-14)23(25,26)27/h3-13,20H,1-2H3,(H,32,34)/t20-/m0/s1
InChIKey	InChI	1.06	ZMELGOOSPVFBKG-FQEVSTJZSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)[C@@H](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)C(F)(F)F
SMILES	CACTVS	3.385	CN(C)C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)C(=O)[C@H](c1cccc(c1)C(F)(F)F)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)C(c1cccc(c1)C(F)(F)F)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F

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