ULK

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

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

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count3
Bond Count48
Aromatic Bond Count12
2D diagram of ULK

Chemical Component Summary

Name~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
FormulaC19 H21 N3 O3
Molecular Weight339.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CNC(=O)c1cc(cc(n1)[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C
SMILESOpenEye OEToolkits2.0.7CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc3)O
Canonical SMILESCACTVS3.385 CNC(=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[C@H]3C[C@@H]3C
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O
InChIInChI1.03 InChI=1S/C19H21N3O3/c1-11-8-14(11)22-18(24)13-9-15(21-16(10-13)19(25)20-2)17(23)12-6-4-3-5-7-12/h3-7,9-11,14,17,23H,8H2,1-2H3,(H,20,25)(H,22,24)/t11-,14-,17-/m0/s1
InChIKeyInChI1.03 OJSKWCXPUVTNCF-YLVFBTJISA-N

Related Resource References

Resource NameReference
PubChem 132185559