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

A1CC5

Summary

Name:	2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide
Formula:	C25 H21 N3 O
Formal charge:	0
Formula weight:	379.454 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide
OpenEye OEToolkits	3.1.0.0	2-[4-(2-methylpyridin-4-yl)phenyl]-~{N}-(4-pyridin-3-ylphenyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1cc(ccn1)c1ccc(CC(=O)Nc2ccc(cc2)c2cccnc2)cc1
InChI	InChI	1.06	InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
InChIKey	InChI	1.06	KHZOJCQBHJUJFY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(ccn1)c2ccc(CC(=O)Nc3ccc(cc3)c4cccnc4)cc2
SMILES	CACTVS	3.385	Cc1cc(ccn1)c2ccc(CC(=O)Nc3ccc(cc3)c4cccnc4)cc2
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cc(ccn1)c2ccc(cc2)CC(=O)Nc3ccc(cc3)c4cccnc4
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(ccn1)c2ccc(cc2)CC(=O)Nc3ccc(cc3)c4cccnc4

246704

PDB entries from 2025-12-24

PDB statistics

PDBj update info

Contact PDBj

numon