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

AFU

Summary

Name:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide
Formula:	C21 H22 N6 O
Formal charge:	0
Formula weight:	374.439 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide
OpenEye OEToolkits	2.0.6	2-azanyl-5-(3-piperazin-1-ylphenyl)-~{N}-pyridin-4-yl-pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccn1)NC(=O)c2c(N)ncc(c2)c3cccc(c3)N4CCNCC4
InChI	InChI	1.03	InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
InChIKey	InChI	1.03	YDMJAALVMGFGRY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncc(cc1C(=O)Nc2ccncc2)c3cccc(c3)N4CCNCC4
SMILES	CACTVS	3.385	Nc1ncc(cc1C(=O)Nc2ccncc2)c3cccc(c3)N4CCNCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4

219515

PDB entries from 2024-05-08

PDB statistics

PDBj update info

Contact PDBj

numon