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Summary Geometry Related PDB entries

QVL

Summary

Name:	N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C11 H11 N7 O
Formal charge:	0
Formula weight:	257.251 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
OpenEye OEToolkits	2.0.7	~{N},3-dimethyl-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1
InChI	InChI	1.03	InChI=1S/C11H11N7O/c1-6-4-12-9-8(6)3-7(5-13-9)10(19)18(2)11-14-16-17-15-11/h3-5H,1-2H3,(H,12,13)(H,14,15,16,17)
InChIKey	InChI	1.03	CHQWAWHCQBTQEW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C(=O)c1cnc2[nH]cc(C)c2c1)c3[nH]nnn3
SMILES	CACTVS	3.385	CN(C(=O)c1cnc2[nH]cc(C)c2c1)c3[nH]nnn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c[nH]c2c1cc(cn2)C(=O)N(C)c3[nH]nnn3
SMILES	OpenEye OEToolkits	2.0.7	Cc1c[nH]c2c1cc(cn2)C(=O)N(C)c3[nH]nnn3

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