English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

Q36

Summary

Name:	(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C16 H15 N3 O
Formal charge:	0
Formula weight:	265.31 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-(3-cyanophenyl)-~{N}-(4-methylpyridin-3-yl)propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C(C)c1cccc(C#N)c1
InChI	InChI	1.06	InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKey	InChI	1.06	QZIZMNNUMXCPSV-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](C(=O)Nc1cnccc1C)c2cccc(c2)C#N
SMILES	CACTVS	3.385	C[CH](C(=O)Nc1cnccc1C)c2cccc(c2)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)C#N
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C(C)c2cccc(c2)C#N

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon