UL5

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

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

Find Related PDB Entry
1 entries where UL5 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	12

2D diagram of UL5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)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(Cc2ccccc2)n1)C(=O)N[CH]3C[CH]3C
SMILES	OpenEye OEToolkits	2.0.7	CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3
Canonical SMILES	CACTVS	3.385	CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]3C[C@@H]3C
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3
InChI	InChI	1.03	InChI=1S/C19H21N3O2/c1-12-8-16(12)22-18(23)14-10-15(9-13-6-4-3-5-7-13)21-17(11-14)19(24)20-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,20,24)(H,22,23)/t12-,16-/m0/s1
InChIKey	InChI	1.03	QEPZFLZVHFIDCF-LRDDRELGSA-N

Related Resource References

Resource Name	Reference
PubChem	132186011

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.