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Summary

Name:	2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
Formula:	C21 H22 N4 O
Formal charge:	0
Formula weight:	346.426 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
OpenEye OEToolkits	2.0.7	2-[methyl(phenyl)amino]-1-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2~{H}-pyridin-1-yl]ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12
InChI	InChI	1.03	InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23)
InChIKey	InChI	1.03	YVJWZSCNKWKWOS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(CC(=O)N1CCC(=CC1)c2c[nH]c3ncccc23)c4ccccc4
SMILES	CACTVS	3.385	CN(CC(=O)N1CCC(=CC1)c2c[nH]c3ncccc23)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CN(CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3)c4ccccc4

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