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Summary Geometry Related PDB entries

A1DM0

Summary

Name:	3-[1-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-4-yl]-2-methoxypyridine
Formula:	C16 H22 N4 O
Formal charge:	0
Formula weight:	286.372 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	3-[1-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-4-yl]-2-methoxypyridine
OpenEye OEToolkits	3.1.0.0	3-[1-(3,5-dimethyl-1~{H}-pyrazol-4-yl)piperidin-4-yl]-2-methoxy-pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1n[NH]c(C)c1N1CCC(CC1)c1cccnc1OC
InChI	InChI	1.06	InChI=1S/C16H22N4O/c1-11-15(12(2)19-18-11)20-9-6-13(7-10-20)14-5-4-8-17-16(14)21-3/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKey	InChI	1.06	KEBVKTGROGTDGR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ncccc1C2CCN(CC2)c3c(C)[nH]nc3C
SMILES	CACTVS	3.385	COc1ncccc1C2CCN(CC2)c3c(C)[nH]nc3C
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1c(c(n[nH]1)C)N2CCC(CC2)c3cccnc3OC
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(c(n[nH]1)C)N2CCC(CC2)c3cccnc3OC

262513

PDB entries from 2026-11-04

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