1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate

C164H237N15O13 — CID 157417473

IUPAC1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate
SMILESCC(C)(C)C.CC(C)(C)c1ccc(=O)n(-c2ccccc2)c1.CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1ccc(OCC2CC2)nc1.CC(C)n1cc(C(C)(C)C)ccc1=O.CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1.CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCO1.CCCOC(=O)Nc1ccc(C(C)(C)C)cn1.CN1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O.O=c1ccccn1Cc1ccccc1
InChIInChI=1S/C17H25NO2.C16H24N2O.C16H23NO2.C15H17NO.C13H20N2O2.C13H20N2.C13H19NO.C12H11NO.C12H19NO.C12H17N.2C10H15NO.C5H12/c1-12-10-18(11-13(2)20-12)16(19)14-6-8-15(9-7-14)17(3,4)5;1-16(2,3)14-7-5-6-13(12-14)15(19)18-10-8-17(4)9-11-18;1-12-11-17(9-10-19-12)15(18)13-5-7-14(8-6-13)16(2,3)4;1-15(2,3)12-9-10-14(17)16(11-12)13-7-5-4-6-8-13;1-5-8-17-12(16)15-11-7-6-10(9-14-11)13(2,3)4;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-13(2,3)11-6-7-12(14-8-11)15-9-10-4-5-10;14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11;1-9(2)13-8-10(12(3,4)5)6-7-11(13)14;1-12(2,3)10-6-7-11(13-8-10)9-4-5-9;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-5(2,3)4/h6-9,12-13H,10-11H2,1-5H3;5-7,12H,8-11H2,1-4H3;5-8,12H,9-11H2,1-4H3;4-11H,1-3H3;6-7,9H,5,8H2,1-4H3,(H,14,15,16);6-7,10H,4-5,8-9H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;1-9H,10H2;6-9H,1-5H3;6-9H,4-5H2,1-3H3;2*5-7H,1-4H3;1-4H3
InChIKeyBPADNUREPXHGSI-UHFFFAOYSA-N
MW2626.79 g/mol
LogP34.37
Rot. Bonds15

About 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate

1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate (PubChem CID 157417473) has the molecular formula C164H237N15O13 and a molecular weight of 2626.79 g/mol. Its IUPAC name is 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate
PubChem CID157417473
Molecular FormulaC164H237N15O13
Molecular Weight2626.79 g/mol
Exact Mass2624.83
IUPAC Name1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate
SMILESCC(C)(C)C.CC(C)(C)c1ccc(=O)n(-c2ccccc2)c1.CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1ccc(OCC2CC2)nc1.CC(C)n1cc(C(C)(C)C)ccc1=O.CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1.CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCO1.CCCOC(=O)Nc1ccc(C(C)(C)C)cn1.CN1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O.O=c1ccccn1Cc1ccccc1
InChIInChI=1S/C17H25NO2.C16H24N2O.C16H23NO2.C15H17NO.C13H20N2O2.C13H20N2.C13H19NO.C12H11NO.C12H19NO.C12H17N.2C10H15NO.C5H12/c1-12-10-18(11-13(2)20-12)16(19)14-6-8-15(9-7-14)17(3,4)5;1-16(2,3)14-7-5-6-13(12-14)15(19)18-10-8-17(4)9-11-18;1-12-11-17(9-10-19-12)15(18)13-5-7-14(8-6-13)16(2,3)4;1-15(2,3)12-9-10-14(17)16(11-12)13-7-5-4-6-8-13;1-5-8-17-12(16)15-11-7-6-10(9-14-11)13(2,3)4;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-13(2,3)11-6-7-12(14-8-11)15-9-10-4-5-10;14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11;1-9(2)13-8-10(12(3,4)5)6-7-11(13)14;1-12(2,3)10-6-7-11(13-8-10)9-4-5-9;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-5(2,3)4/h6-9,12-13H,10-11H2,1-5H3;5-7,12H,8-11H2,1-4H3;5-8,12H,9-11H2,1-4H3;4-11H,1-3H3;6-7,9H,5,8H2,1-4H3,(H,14,15,16);6-7,10H,4-5,8-9H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;1-9H,10H2;6-9H,1-5H3;6-9H,4-5H2,1-3H3;2*5-7H,1-4H3;1-4H3
InChIKeyBPADNUREPXHGSI-UHFFFAOYSA-N
XLogP34.37
TPSA294.99 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002626.79
LogP ≤ 534.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate with MolForge

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Launch Full Analysis

Related Compounds

N-[6-methyl-5-[6-[methyl-[[4-[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-2-[(3S)-oxolan-3-yl]oxypyridin-3-yl]morpholin-2-yl]methyl]amino]-5-morpholin-4-ylpyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 130425556
tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;4-[(4-tert-butylcyclohexyl)methyl]morpholine;(3-tert-butylcyclohexyl)-morpholin-4-ylmethanone;(3-tert-butylcyclohexyl)-piperidin-1-ylmethanone;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3,5-dimethylcyclohexane;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-4-methylpyridine;3-tert-butyl-4-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;3,3-dimethylbutan-1-ol;4,4-dimethylpentan-1-ol;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)pyridine;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;N,N,3,3-tetramethylbutan-1-amine;N,N,4,4-tetramethylpentan-1-amine
CID 160506632
N-[6-[[[3-(4-aminobutoxy)-5-[[pyridin-2-ylmethyl-[[6-[[4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]methyl]amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-4-(trifluoromethyl)benzamide;N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[pyridin-2-ylmethyl-[[6-[[4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]methyl]amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-4-(trifluoromethyl)benzamide
CID 163942610
2-[4-[3,5-bis[[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenoxy]butyl]isoindole-1,3-dione;N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[pyridin-2-ylmethyl-[[6-[[4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]methyl]amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-4-(trifluoromethyl)benzamide
CID 164013584
[3-[[1-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]piperidin-4-yl]methyl]-3-azaspiro[5.5]undecan-9-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
CID 176695240
pyridin-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)carbamate
CID 129158856
[5-(3-amino-4-pyridinyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine;4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyridin-3-amine;4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-3-amine
CID 157049975
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea
CID 157191406
4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157215630
5-(2-anilino-4-pyridinyl)-N-benzyl-2-methylbenzamide;3-(2-anilino-4-pyridinyl)-N-(cyclohexylmethyl)benzamide;3-(2-anilino-4-pyridinyl)-N-(furan-2-ylmethyl)benzamide;5-(2-anilino-4-pyridinyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide;5-(2-anilino-4-pyridinyl)-2-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 157237549
3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one
CID 157372954
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide
CID 157386955

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate?
The IUPAC name of 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate (CID 157417473) is 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate.
What is the SMILES notation for 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate?
The canonical SMILES for 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate is CC(C)(C)C.CC(C)(C)c1ccc(=O)n(-c2ccccc2)c1.CC(C)(C)c1ccc(C2CC2)nc1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1ccc(OCC2CC2)nc1.CC(C)n1cc(C(C)(C)C)ccc1=O.CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1.CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCO1.CCCOC(=O)Nc1ccc(C(C)(C)C)cn1.CN1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O.O=c1ccccn1Cc1ccccc1.
What is the InChIKey of 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate?
The InChIKey is BPADNUREPXHGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C16H24N2O.C16H23NO2.C15H17NO.C13H20N2O2.C13H20N2.C13H19NO.C12H11NO.C12H19NO.C12H17N.2C10H15NO.C5H12/c1-12-10-18(11-13(2)20-12)16(19)14-6-8-15(9-7-14)17(3,4)5;1-16(2,3)14-7-5-6-13(12-14)15(19)18-10-8-17(4)9-11-18;1-12-11-17(9-10-19-12)15(18)13-5-7-14(8-6-13)16(2,3)4;1-15(2,3)12-9-10-14(17)16(11-12)13-7-5-4-6-8-13;1-5-8-17-12(16)15-11-7-6-10(9-14-11)13(2,3)4;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-13(2,3)11-6-7-12(14-8-11)15-9-10-4-5-10;14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11;1-9(2)13-8-10(12(3,4)5)6-7-11(13)14;1-12(2,3)10-6-7-11(13-8-10)9-4-5-9;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-5(2,3)4/h6-9,12-13H,10-11H2,1-5H3;5-7,12H,8-11H2,1-4H3;5-8,12H,9-11H2,1-4H3;4-11H,1-3H3;6-7,9H,5,8H2,1-4H3,(H,14,15,16);6-7,10H,4-5,8-9H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;1-9H,10H2;6-9H,1-5H3;6-9H,4-5H2,1-3H3;2*5-7H,1-4H3;1-4H3.
What are the key properties of 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate?
1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate has a molecular weight of 2626.79 g/mol, XLogP of 34.37, 15 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyridin-2-one;5-tert-butyl-2-(cyclopropylmethoxy)pyridine;5-tert-butyl-2-cyclopropylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;(4-tert-butylphenyl)-(2-methylmorpholin-4-yl)methanone;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1-phenylpyridin-2-one;5-tert-butyl-1-propan-2-ylpyridin-2-one;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2,2-dimethylpropane;propyl N-(5-tert-butyl-2-pyridinyl)carbamate is sourced from PubChem (CID 157417473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).