1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one

C248H371F9N22O16 — CID 161272940

IUPAC1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one
SMILESC=C1C=C(C(C)(C)C)C=CN1.C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(C)(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)n(C2CCC2)c1.CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.CCCn1cc(C(C)(C)C)ccc1=O.C[C@@H](Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.C[C@H](Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)[nH]c1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C16H19NO.C14H23NO.3C13H18F3NO.C13H19NO.3C13H21NO.C12H19NO.2C10H15NO.2C10H15N.C10H19N.2C10H14O.2C9H14N2.2C9H13NO.C9H13N/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-13(2,3)10-15-9-11(14(4,5)6)7-8-12(15)16;3*1-9(13(14,15)16)7-17-8-10(12(2,3)4)5-6-11(17)18;1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11;3*1-10(2)8-14-9-11(13(3,4)5)6-7-12(14)15;1-5-8-13-9-10(12(2,3)4)6-7-11(13)14;1-10(2,3)8-5-6-11(4)9(12)7-8;1-7-5-6-8(10(2,3)4)11-9(7)12;2*1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h4-10,12H,11H2,1-3H3;7-9H,10H2,1-6H3;3*5-6,8-9H,7H2,1-4H3;7-9,11H,4-6H2,1-3H3;3*6-7,9-10H,8H2,1-5H3;6-7,9H,5,8H2,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,11,12);5-7H,1-4H3;5-7,11H,1H2,2-4H3;9,11H,1,5-7H2,2-4H3;2*4-7,11H,1-3H3;2*5-6,10H,1H2,2-4H3;2*4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;;2*9-;;;;;;;;;;;;;;;;;;/m..10................../s1
InChIKeyVEBHSRHEXDJVJU-FJCVIRMUSA-N
MW4087.82 g/mol
LogP56.96
Rot. Bonds18

About 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one

1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one (PubChem CID 161272940) has the molecular formula C248H371F9N22O16 and a molecular weight of 4087.82 g/mol. Its IUPAC name is 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one
PubChem CID161272940
Molecular FormulaC248H371F9N22O16
Molecular Weight4087.82 g/mol
Exact Mass4084.87
IUPAC Name1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one
SMILESC=C1C=C(C(C)(C)C)C=CN1.C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(C)(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)n(C2CCC2)c1.CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.CCCn1cc(C(C)(C)C)ccc1=O.C[C@@H](Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.C[C@H](Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)[nH]c1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C16H19NO.C14H23NO.3C13H18F3NO.C13H19NO.3C13H21NO.C12H19NO.2C10H15NO.2C10H15N.C10H19N.2C10H14O.2C9H14N2.2C9H13NO.C9H13N/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-13(2,3)10-15-9-11(14(4,5)6)7-8-12(15)16;3*1-9(13(14,15)16)7-17-8-10(12(2,3)4)5-6-11(17)18;1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11;3*1-10(2)8-14-9-11(13(3,4)5)6-7-12(14)15;1-5-8-13-9-10(12(2,3)4)6-7-11(13)14;1-10(2,3)8-5-6-11(4)9(12)7-8;1-7-5-6-8(10(2,3)4)11-9(7)12;2*1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h4-10,12H,11H2,1-3H3;7-9H,10H2,1-6H3;3*5-6,8-9H,7H2,1-4H3;7-9,11H,4-6H2,1-3H3;3*6-7,9-10H,8H2,1-5H3;6-7,9H,5,8H2,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,11,12);5-7H,1-4H3;5-7,11H,1H2,2-4H3;9,11H,1,5-7H2,2-4H3;2*4-7,11H,1-3H3;2*5-6,10H,1H2,2-4H3;2*4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;;2*9-;;;;;;;;;;;;;;;;;;/m..10................../s1
InChIKeyVEBHSRHEXDJVJU-FJCVIRMUSA-N
XLogP56.96
TPSA479.66 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004087.82
LogP ≤ 556.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;methane
CID 159688485
1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;bis(4-tert-butyl-1H-pyridin-2-one);5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one
CID 160194558
5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone
CID 159636724
4-Tert-butyl-1-methylpyrazole;2-(2,2-dimethylpropyl)-6-(3-fluoro-4-hydroxyphenyl)pyridazin-3-one;2-(2,2-dimethylpropyl)-6-(3-hydroxyphenyl)pyridazin-3-one;2-(2,2-dimethylpropyl)-6-(4-hydroxyphenyl)pyridazin-3-one;3-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)piperidine;2-(2,2-dimethylpropyl)-6-pyridin-3-ylpyridazin-3-one;2-(2,2-dimethylpropyl)-6-pyridin-4-ylpyridazin-3-one
CID 160041585
1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;5-tert-butylpiperidin-2-one;3-tert-butylpyridine;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one
CID 162111262

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one (CID 161272940) is 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one is C=C1C=C(C(C)(C)C)C=CN1.C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(C)(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)n(C2CCC2)c1.CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(C)Cn1cc(C(C)(C)C)ccc1=O.CC(Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.CCCn1cc(C(C)(C)C)ccc1=O.C[C@@H](Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.C[C@H](Cn1cc(C(C)(C)C)ccc1=O)C(F)(F)F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)[nH]c1=O.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one?
The InChIKey is VEBHSRHEXDJVJU-FJCVIRMUSA-N. The full InChI is InChI=1S/C16H19NO.C14H23NO.3C13H18F3NO.C13H19NO.3C13H21NO.C12H19NO.2C10H15NO.2C10H15N.C10H19N.2C10H14O.2C9H14N2.2C9H13NO.C9H13N/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-13(2,3)10-15-9-11(14(4,5)6)7-8-12(15)16;3*1-9(13(14,15)16)7-17-8-10(12(2,3)4)5-6-11(17)18;1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11;3*1-10(2)8-14-9-11(13(3,4)5)6-7-12(14)15;1-5-8-13-9-10(12(2,3)4)6-7-11(13)14;1-10(2,3)8-5-6-11(4)9(12)7-8;1-7-5-6-8(10(2,3)4)11-9(7)12;2*1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h4-10,12H,11H2,1-3H3;7-9H,10H2,1-6H3;3*5-6,8-9H,7H2,1-4H3;7-9,11H,4-6H2,1-3H3;3*6-7,9-10H,8H2,1-5H3;6-7,9H,5,8H2,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,11,12);5-7H,1-4H3;5-7,11H,1H2,2-4H3;9,11H,1,5-7H2,2-4H3;2*4-7,11H,1-3H3;2*5-6,10H,1H2,2-4H3;2*4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;;2*9-;;;;;;;;;;;;;;;;;;/m..10................../s1.
What are the key properties of 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one?
1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one has a molecular weight of 4087.82 g/mol, XLogP of 56.96, 18 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-2-methylidene-1H-pyridine;tris(5-tert-butyl-1-(2-methylpropyl)pyridin-2-one);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;5-tert-butyl-1-propylpyridin-2-one;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;5-tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 161272940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).