VBE

1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide

Created:2021-05-04
Last modified:  2021-07-21

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count52
Aromatic Bond Count6
2D diagram of VBE
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Chemical Component Summary

Name1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide
Synonyms1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenylpropyl]pyridine-3-carboxamide
FormulaC20 H25 N3 O3
Molecular Weight355.431
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNC(=O)CN(C[CH](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C
SMILESOpenEye OEToolkits2.0.7CC1=CC(=CN(C1=O)C)C(=O)N(CC(C)c2ccccc2)CC(=O)NC
Canonical SMILESCACTVS3.385 CNC(=O)CN(C[C@@H](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC
InChIInChI1.03 InChI=1S/C20H25N3O3/c1-14-10-17(12-22(4)19(14)25)20(26)23(13-18(24)21-3)11-15(2)16-8-6-5-7-9-16/h5-10,12,15H,11,13H2,1-4H3,(H,21,24)/t15-/m1/s1
InChIKeyInChI1.03 HZVLFNBTVSYMSI-OAHLLOKOSA-N

Related Resource References

Resource NameReference
PubChem 156009106