ULH

~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide

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

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1 entries where ULH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	6

2D diagram of ULH

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Chemical Component Summary
Name	~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide
Formula	C₁₉ H₂₁ N₃ O₃
Molecular Weight	339.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)C1=CC(=CN([CH](C)c2ccccc2)C1=O)C(=O)NC3CC3
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3
Canonical SMILES	CACTVS	3.385	CNC(=O)C1=CC(=CN([C@H](C)c2ccccc2)C1=O)C(=O)NC3CC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3
InChI	InChI	1.03	InChI=1S/C19H21N3O3/c1-12(13-6-4-3-5-7-13)22-11-14(17(23)21-15-8-9-15)10-16(19(22)25)18(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1
InChIKey	InChI	1.03	AYQUCQJYWKQBRS-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	126676281

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.