4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

C154H236F6N18O11S2 — CID 159728326

IUPAC4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
SMILESCC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2COC2)c1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C16H25NO.C15H25N3O2S.C15H23NO.C14H21NO.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,13H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;8-9,12H,5-7,10H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3
InChIKeyNAXKCIHGVSBLGP-UHFFFAOYSA-N
MW2693.82 g/mol
LogP30.60
Rot. Bonds24

About 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (PubChem CID 159728326) has the molecular formula C154H236F6N18O11S2 and a molecular weight of 2693.82 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
PubChem CID159728326
Molecular FormulaC154H236F6N18O11S2
Molecular Weight2693.82 g/mol
Exact Mass2691.78
IUPAC Name4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
SMILESCC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2COC2)c1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C16H25NO.C15H25N3O2S.C15H23NO.C14H21NO.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,13H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;8-9,12H,5-7,10H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3
InChIKeyNAXKCIHGVSBLGP-UHFFFAOYSA-N
XLogP30.60
TPSA321.83 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002693.82
LogP ≤ 530.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[4-[[4-methyl-6-[6-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]oxy-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrido[3,2-d]pyrimidin-8-yl]-2-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532238
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157167560
2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157333860
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157377566
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157428196
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 157448005
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 157471433
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157609237
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157646118
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157664120
2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157795294

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (CID 159728326) is 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is CC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2COC2)c1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is NAXKCIHGVSBLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C16H25NO.C15H25N3O2S.C15H23NO.C14H21NO.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,13H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;8-9,12H,5-7,10H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;5-7,11H,4,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 2693.82 g/mol, XLogP of 30.60, 24 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 159728326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).