2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate

C168H242N18O21S — CID 159183229

IUPAC2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate
SMILESCC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(C(=O)O)n1.CC(C)(C)c1cncc(O)c1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1ncccc1C(C)(C)C
InChIInChI=1S/C11H16N2O.C11H17NO2S.C11H15NO2.C11H15NO.C11H17NO.2C10H13NO2.3C10H15NO.7C9H13NO/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-6-5-8(7-12-9)10(13)14-4;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)8-6-4-5-7(11-8)9(12)13;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-7(11)6-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)7-5-4-6-8(11)10-7/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;2*4-6H,1-3H3,(H,12,13);3*5-7H,1-4H3;4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11);4-6,11H,1-3H3;3*4-6H,1-3H3,(H,10,11)
InChIKeyKNDWZBOLJWMATQ-UHFFFAOYSA-N
MW2881.96 g/mol
LogP35.04
Rot. Bonds12

About 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate

2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate (PubChem CID 159183229) has the molecular formula C168H242N18O21S and a molecular weight of 2881.96 g/mol. Its IUPAC name is 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate
PubChem CID159183229
Molecular FormulaC168H242N18O21S
Molecular Weight2881.96 g/mol
Exact Mass2879.81
IUPAC Name2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate
SMILESCC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(C(=O)O)n1.CC(C)(C)c1cncc(O)c1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1ncccc1C(C)(C)C
InChIInChI=1S/C11H16N2O.C11H17NO2S.C11H15NO2.C11H15NO.C11H17NO.2C10H13NO2.3C10H15NO.7C9H13NO/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-6-5-8(7-12-9)10(13)14-4;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)8-6-4-5-7(11-8)9(12)13;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-7(11)6-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)7-5-4-6-8(11)10-7/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;2*4-6H,1-3H3,(H,12,13);3*5-7H,1-4H3;4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11);4-6,11H,1-3H3;3*4-6H,1-3H3,(H,10,11)
InChIKeyKNDWZBOLJWMATQ-UHFFFAOYSA-N
XLogP35.04
TPSA577.57 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002881.96
LogP ≤ 535.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Butoxy-5-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;2-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;bis(2-ethoxy-5-propan-2-ylpyridine);bis(3-ethoxy-5-propan-2-ylpyridine);2-ethyl-3-methoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;3-ethyl-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-(3-fluoro-5-propan-2-yl-2-pyridinyl)propan-2-ol;methane;3-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;methyl 5-propan-2-ylpyridine-3-carboxylate;methyl 2-(5-propan-2-yl-3-pyridinyl)acetate;3-methylsulfonyl-5-propan-2-ylpyridine;2-[(5-propan-2-yl-3-pyridinyl)oxy]ethanol;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;5-propan-2-yl-2-(3,3,3-trifluoropropoxy)pyridine
CID 159176956
2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;1-(6-tert-butyl-3-pyridinyl)ethanone
CID 157108007
3,5-difluoro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-carboxamide;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;[4-(2-hydroxyethyl)piperazin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone;5-methoxy-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;bis(morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone);6-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;(6-propan-2-yl-3-pyridinyl)methanol
CID 158701723
N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid
CID 159092719
2-Butoxy-5-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;2-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;bis(2-ethoxy-5-propan-2-ylpyridine);bis(3-ethoxy-5-propan-2-ylpyridine);2-ethyl-3-methoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;3-ethyl-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-(3-fluoro-5-propan-2-yl-2-pyridinyl)propan-2-ol;methane;3-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;methyl 5-propan-2-ylpyridine-3-carboxylate;methyl 2-(5-propan-2-yl-3-pyridinyl)acetate;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-propoxypyridine;5-propan-2-yl-2-propoxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol
CID 159124758
2-[(5-Fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]acetic acid;2-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
CID 159696697
5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
CID 159947482
2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-methoxypyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridin-3-ol;1-(6-tert-butyl-3-pyridinyl)ethanone
CID 159978773
6-tert-butyl-3-methoxy-1H-pyridin-2-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-(oxetan-3-yl)pyridin-2-one;5-tert-butylpiperidin-2-one;5-tert-butyl-1H-pyrazin-2-one;3-tert-butyl-1H-pyridazin-6-one;3-tert-butylpyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;bis(4-tert-butyl-1H-pyridin-2-one);5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;methyl 6-tert-butylpyridine-3-carboxylate
CID 160106323
6-[[4-(Dimethoxymethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxylic acid;1-[6-[[4-(dimethoxymethyl)-3-pyridinyl]oxymethyl]-3-pyridinyl]-2-methylsulfonylethanone;methanesulfonamide
CID 160123157
2-[(5-Fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]ethanesulfonic acid;3-[(5-fluoro-6-propan-2-ylpyridine-3-carbonyl)amino]propanoic acid;5-fluoro-6-propan-2-ylpyridine-3-carboxylic acid;6-methoxy-5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
CID 160318771
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;1-(5-bromo-2-pyridinyl)ethanol;1-(5-bromo-2-pyridinyl)ethanone;5-bromo-2-(1-pyridin-3-yloxyethyl)pyridine;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1-pyridin-3-yloxyethyl)pyridine-3-carboxamide;methyl 6-(1-pyridin-3-yloxyethyl)pyridine-3-carboxylate;pyridin-3-ol;6-(1-pyridin-3-yloxyethyl)pyridine-3-carboxylic acid
CID 160488055

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate?
The IUPAC name of 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate (CID 159183229) is 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate.
What is the SMILES notation for 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate?
The canonical SMILES for 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate is CC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(C(=O)O)n1.CC(C)(C)c1cncc(O)c1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1ncccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate?
The InChIKey is KNDWZBOLJWMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H17NO2S.C11H15NO2.C11H15NO.C11H17NO.2C10H13NO2.3C10H15NO.7C9H13NO/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-6-5-8(7-12-9)10(13)14-4;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)8-6-4-5-7(11-8)9(12)13;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-7(11)6-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)7-5-4-6-8(11)10-7/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;2*4-6H,1-3H3,(H,12,13);3*5-7H,1-4H3;4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11);4-6,11H,1-3H3;3*4-6H,1-3H3,(H,10,11).
What are the key properties of 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate?
2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate has a molecular weight of 2881.96 g/mol, XLogP of 35.04, 12 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethoxypyridine;2-tert-butyl-5-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone;methyl 6-tert-butylpyridine-3-carboxylate is sourced from PubChem (CID 159183229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).