ULE

~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide

Created:	2021-03-01
Last modified:	2021-07-21

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1 entries where ULE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	12

2D diagram of ULE

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Chemical Component Summary
Name	~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
Formula	C₁₉ H₂₁ N₃ O₂
Molecular Weight	323.389
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3CC3
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3
Canonical SMILES	CACTVS	3.385	CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O)NC3CC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3
InChI	InChI	1.03	InChI=1S/C19H21N3O2/c1-12(13-6-4-3-5-7-13)16-10-14(18(23)21-15-8-9-15)11-17(22-16)19(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1
InChIKey	InChI	1.03	VGUKTEKHFHLCSV-LBPRGKRZSA-N

Related Resource References

Resource Name	Reference
PubChem	132185545

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.