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Summary Geometry Related PDB entries

7TA

Summary

Name:	N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Formula:	C23 H26 N4 O2
Formal charge:	0
Formula weight:	390.478 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
OpenEye OEToolkits	2.0.6	~{N}-[4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl]pyrrolo[3,4-c]pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(C(n2cc1c(ccnc1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)C)cc4
InChI	InChI	1.03	InChI=1S/C23H26N4O2/c1-16(2)22(28)26-11-8-18(9-12-26)17-3-5-21(6-4-17)25-23(29)27-14-19-7-10-24-13-20(19)15-27/h3-7,10,13-16,18H,8-9,11-12H2,1-2H3,(H,25,29)
InChIKey	InChI	1.03	UXDAQOSAZJARDY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccncc4c3)cc2
SMILES	CACTVS	3.385	CC(C)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccncc4c3)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3
SMILES	OpenEye OEToolkits	2.0.6	CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3

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PDB entries from 2026-02-04

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