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Summary

Name:	N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Formula:	C25 H21 F6 N3 O2
Formal charge:	0
Formula weight:	509.444 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[(1~{S})-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxidanylidene-ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(c1cc(C)cc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F
InChI	InChI	1.06	InChI=1S/C25H21F6N3O2/c1-14-10-16(12-18(11-14)25(29,30)31)21(23(36)34(2)3)33-22(35)20-13-32-9-8-19(20)15-4-6-17(7-5-15)24(26,27)28/h4-13,21H,1-3H3,(H,33,35)/t21-/m0/s1
InChIKey	InChI	1.06	KPDNRBOZALCFHR-NRFANRHFSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)[C@@H](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc(C)cc(c3)C(F)(F)F
SMILES	CACTVS	3.385	CN(C)C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc(C)cc(c3)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)N(C)C)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)C(F)(F)F)C(C(=O)N(C)C)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F

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