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

C184H270N14O8 — CID 157108007

IUPAC2-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
SMILESCC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O.C11H15NO.C11H17NO.2C11H16O.C11H16.8C10H15N.2C10H14O.C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;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;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;4*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(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;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3,(H,12,14);5-7H,1-4H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;8*5-7H,1-4H3;2*4-7,11H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3
InChIKeyAGNFWQLGFZAFOM-UHFFFAOYSA-N
MW2806.27 g/mol
LogP47.31
Rot. Bonds6

About 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

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 (PubChem CID 157108007) has the molecular formula C184H270N14O8 and a molecular weight of 2806.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157108007
Molecular FormulaC184H270N14O8
Molecular Weight2806.27 g/mol
Exact Mass2804.12
IUPAC Name2-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
SMILESCC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O.C11H15NO.C11H17NO.2C11H16O.C11H16.8C10H15N.2C10H14O.C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;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;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;4*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(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;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3,(H,12,14);5-7H,1-4H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;8*5-7H,1-4H3;2*4-7,11H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3
InChIKeyAGNFWQLGFZAFOM-UHFFFAOYSA-N
XLogP47.31
TPSA301.86 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002806.27
LogP ≤ 547.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

1-[4-[5-(Piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]ethanone;1-[4-[5-[[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]methoxy]-2-pyridinyl]phenyl]ethanone
CID 90018265
N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 123169123
N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 123188590
N-[1-[3-[3-fluoro-5-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide
CID 124002267
6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide
CID 143304370
4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[(6-methyl-3-pyridinyl)oxy]benzamide;2-[(2-methyl-3-pyridinyl)oxy]-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide;2-[(6-methyl-3-pyridinyl)oxy]-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 157528773
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
CID 159301213
3,3-Difluoro-7-(3-methylphenoxy)heptan-2-one;2,2-difluoro-1-(3-methylphenyl)-6-phenoxyhexan-1-one;2,2-difluoro-1-(6-methyl-2-pyridinyl)-2-(4-phenylphenyl)ethanone;3,3-difluoro-7-phenoxyheptan-2-one;3,3-difluoro-8-phenoxyoctan-2-one;2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol;2,2-difluoro-1-(4-phenylphenyl)-2-pyridin-2-ylethanone;2,2-difluoro-2-phenyl-1-(4-pyridin-2-ylphenyl)ethanone;methane
CID 159602554
2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159834075
N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 90886634
N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
CID 123216844
6-(phenoxymethyl)-N-[[5-[3-[[5-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 123484080

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is AGNFWQLGFZAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H15NO.C11H17NO.2C11H16O.C11H16.8C10H15N.2C10H14O.C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;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;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;4*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(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;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3,(H,12,14);5-7H,1-4H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;8*5-7H,1-4H3;2*4-7,11H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2806.27 g/mol, XLogP of 47.31, 6 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157108007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).