tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

C164H254F4N20O10 — CID 158023245

IUPACtert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(=O)NCCCC(C)C.CC(C)C1=CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1=CCNCC1.CC(C)C1CC1.CC(C)N1CCOCC1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N2CCN(C)CC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(C(=O)N2CCOCC2)c1.CNC(=O)C(C)C.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1
InChIInChI=1S/C13H21N3.C13H18N2O2.C13H23NO2.C12H18N2O.C10H11F3.C10H14O.C9H11F.C9H10N2.C9H13NO.C8H12N2.C8H17NO.C8H15N.3C8H11N.C7H15NO.C6H12.C5H11NO/c1-11(2)12-4-5-13(14-10-12)16-8-6-15(3)7-9-16;1-10(2)11-7-12(9-14-8-11)13(16)15-3-5-17-6-4-15;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)7-3-4-8(9)10-5-7;1-7(2)5-4-6-9-8(3)10;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-6;1-4(2)5(7)6-3/h4-5,10-11H,6-9H2,1-3H3;7-10H,3-6H2,1-2H3;6,10H,7-9H2,1-5H3;3-4,9-10H,5-8H2,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H2,9,10);7H,4-6H2,1-3H3,(H,9,10);3,7,9H,4-6H2,1-2H3;3*3-7H,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3,(H,6,7)
InChIKeyFGHNVBJOVBAHMK-UHFFFAOYSA-N
MW2741.96 g/mol
LogP37.46
Rot. Bonds26

About tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158023245) has the molecular formula C164H254F4N20O10 and a molecular weight of 2741.96 g/mol. Its IUPAC name is tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Nametert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID158023245
Molecular FormulaC164H254F4N20O10
Molecular Weight2741.96 g/mol
Exact Mass2739.99
IUPAC Nametert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(=O)NCCCC(C)C.CC(C)C1=CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1=CCNCC1.CC(C)C1CC1.CC(C)N1CCOCC1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N2CCN(C)CC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(C(=O)N2CCOCC2)c1.CNC(=O)C(C)C.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1
InChIInChI=1S/C13H21N3.C13H18N2O2.C13H23NO2.C12H18N2O.C10H11F3.C10H14O.C9H11F.C9H10N2.C9H13NO.C8H12N2.C8H17NO.C8H15N.3C8H11N.C7H15NO.C6H12.C5H11NO/c1-11(2)12-4-5-13(14-10-12)16-8-6-15(3)7-9-16;1-10(2)11-7-12(9-14-8-11)13(16)15-3-5-17-6-4-15;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)7-3-4-8(9)10-5-7;1-7(2)5-4-6-9-8(3)10;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-6;1-4(2)5(7)6-3/h4-5,10-11H,6-9H2,1-3H3;7-10H,3-6H2,1-2H3;6,10H,7-9H2,1-5H3;3-4,9-10H,5-8H2,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H2,9,10);7H,4-6H2,1-3H3,(H,9,10);3,7,9H,4-6H2,1-2H3;3*3-7H,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3,(H,6,7)
InChIKeyFGHNVBJOVBAHMK-UHFFFAOYSA-N
XLogP37.46
TPSA345.01 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002741.96
LogP ≤ 537.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

6-(6-methoxy-2-pyridinyl)-8-[4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;5-[1-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-2-carbonitrile
CID 87191984
6-(3,3-difluoropiperidin-1-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one;ethyl 3-[4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidin-1-yl]propanoate
CID 87192076
Ethyl 6-[4-(benzylcarbamoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate;ethyl 5-cyano-6-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate;2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87607638
N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-(2-hydroxyethyl)-2-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one;methane;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157126534
5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157176480
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide;4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 157277456
(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine
CID 157420647
ethyl (2S)-3-[6-(7-cyano-1-methyl-2,4-dioxoquinazolin-3-yl)-3-pyridinyl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;ethyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(7-methoxy-1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-3-[6-(7-cyano-1-methyl-2,4-dioxoquinazolin-3-yl)-3-pyridinyl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(7-methoxy-1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
CID 157488945
6-[(4-cyanophenoxy)methyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3,5-difluorophenoxy)methyl]-N-(3,3-dimethylbutyl)pyridine-3-carboxamide;N-(2-methylpropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 157528501
2-(2-aminopyridine-3-carbonyl)-N-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbonitrilium;2-(2-aminopyridine-3-carbonyl)-N-methyl-6-(3-phenylpiperazin-1-yl)pyridine-3-carbonitrilium;(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 157792909
N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
CID 158164934
2-(2-cyanopropan-2-yl)-N-[6-methoxy-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;2-cyclopropyl-N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158392388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158023245) is tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(=O)NCCCC(C)C.CC(C)C1=CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1=CCNCC1.CC(C)C1CC1.CC(C)N1CCOCC1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N2CCN(C)CC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(C(=O)N2CCOCC2)c1.CNC(=O)C(C)C.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.
What is the InChIKey of tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is FGHNVBJOVBAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C13H18N2O2.C13H23NO2.C12H18N2O.C10H11F3.C10H14O.C9H11F.C9H10N2.C9H13NO.C8H12N2.C8H17NO.C8H15N.3C8H11N.C7H15NO.C6H12.C5H11NO/c1-11(2)12-4-5-13(14-10-12)16-8-6-15(3)7-9-16;1-10(2)11-7-12(9-14-8-11)13(16)15-3-5-17-6-4-15;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)7-3-4-8(9)10-5-7;1-7(2)5-4-6-9-8(3)10;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-6;1-4(2)5(7)6-3/h4-5,10-11H,6-9H2,1-3H3;7-10H,3-6H2,1-2H3;6,10H,7-9H2,1-5H3;3-4,9-10H,5-8H2,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H2,9,10);7H,4-6H2,1-3H3,(H,9,10);3,7,9H,4-6H2,1-2H3;3*3-7H,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3,(H,6,7).
What are the key properties of tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 2741.96 g/mol, XLogP of 37.46, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158023245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).