bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate

C181H168N10O29S2 — CID 167676083

IUPACbis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
SMILESCCOc1ccc(-c2cccc(C(=O)OCC3=CCC=C3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCC3=CCC=C3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccco3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3cccs3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccsc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccn3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccco3)n2)cc1
InChIInChI=1S/2C21H19NO3.C20H18N2O3.C20H19NO4.2C20H19NO3S.2C20H19NO3.C19H17NO4/c2*1-2-24-18-13-11-17(12-14-18)19-9-6-10-20(22-19)21(23)25-15-16-7-4-3-5-8-16;1-2-24-17-11-9-15(10-12-17)18-7-5-8-19(22-18)20(23)25-14-16-6-3-4-13-21-16;1-2-23-17-10-8-15(9-11-17)18-6-3-7-19(21-18)20(22)25-14-12-16-5-4-13-24-16;1-2-23-16-10-8-15(9-11-16)18-6-3-7-19(21-18)20(22)24-13-12-17-5-4-14-25-17;1-2-23-17-8-6-16(7-9-17)18-4-3-5-19(21-18)20(22)24-12-10-15-11-13-25-14-15;2*1-2-23-17-12-10-16(11-13-17)18-8-5-9-19(21-18)20(22)24-14-15-6-3-4-7-15;1-2-22-15-10-8-14(9-11-15)17-6-3-7-18(20-17)19(21)24-13-16-5-4-12-23-16/h2*3-14H,2,15H2,1H3;3-13H,2,14H2,1H3;3-11,13H,2,12,14H2,1H3;3-11,14H,2,12-13H2,1H3;3-9,11,13-14H,2,10,12H2,1H3;2*3,5-13H,2,4,14H2,1H3;3-12H,2,13H2,1H3
InChIKeyUVFCISWLCVINBM-UHFFFAOYSA-N
MW3011.51 g/mol
LogP38.74
Rot. Bonds57

About bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate

bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate (PubChem CID 167676083) has the molecular formula C181H168N10O29S2 and a molecular weight of 3011.51 g/mol. Its IUPAC name is bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
PubChem CID167676083
Molecular FormulaC181H168N10O29S2
Molecular Weight3011.51 g/mol
Exact Mass3009.14
IUPAC Namebis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
SMILESCCOc1ccc(-c2cccc(C(=O)OCC3=CCC=C3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCC3=CCC=C3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccco3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3cccs3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccsc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccn3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccco3)n2)cc1
InChIInChI=1S/2C21H19NO3.C20H18N2O3.C20H19NO4.2C20H19NO3S.2C20H19NO3.C19H17NO4/c2*1-2-24-18-13-11-17(12-14-18)19-9-6-10-20(22-19)21(23)25-15-16-7-4-3-5-8-16;1-2-24-17-11-9-15(10-12-17)18-7-5-8-19(22-18)20(23)25-14-16-6-3-4-13-21-16;1-2-23-17-10-8-15(9-11-17)18-6-3-7-19(21-18)20(22)25-14-12-16-5-4-13-24-16;1-2-23-16-10-8-15(9-11-16)18-6-3-7-19(21-18)20(22)24-13-12-17-5-4-14-25-17;1-2-23-17-8-6-16(7-9-17)18-4-3-5-19(21-18)20(22)24-12-10-15-11-13-25-14-15;2*1-2-23-17-12-10-16(11-13-17)18-8-5-9-19(21-18)20(22)24-14-15-6-3-4-7-15;1-2-22-15-10-8-14(9-11-15)17-6-3-7-18(20-17)19(21)24-13-16-5-4-12-23-16/h2*3-14H,2,15H2,1H3;3-13H,2,14H2,1H3;3-11,13H,2,12,14H2,1H3;3-11,14H,2,12-13H2,1H3;3-9,11,13-14H,2,10,12H2,1H3;2*3,5-13H,2,4,14H2,1H3;3-12H,2,13H2,1H3
InChIKeyUVFCISWLCVINBM-UHFFFAOYSA-N
XLogP38.74
TPSA474.95 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds57
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003011.51
LogP ≤ 538.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate with MolForge

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Related Compounds

1-[2-[(Dimethylamino)methyl]phenyl]-4-(furan-2-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-thiophen-2-ylbutane-1,4-dione;1-(2-ethylphenyl)-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158201071
1-[2-[(Dimethylamino)methyl]phenyl]-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(furan-2-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 159084087
2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
CID 157277033
[(1R)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] 2,2-dimethylpropanoate;bis(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione);4-[(1S)-1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethoxy]-4-oxobutanoic acid;[(1S)-1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] acetate;[(1R)-1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] acetate;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione
CID 157485860
1-[4-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;1-[5-(cyclohexylmethoxy)furan-2-yl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[5-(cyclohexylmethoxy)thiophen-2-yl]butan-1-ol;1-[5-(cyclohexylmethoxy)thiophen-2-yl]butan-1-ol;1-[5-(cyclohexylmethoxy)thiophen-3-yl]butan-1-ol
CID 158086923
[(1S)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] acetate;[2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] benzoate;[(1R)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] hexanoate;[1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] benzoate
CID 158308229
[2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] benzoate;[(1R)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(6-ethyl-3-pyridinyl)ethyl] 2,2-dimethylpropanoate;4-[(1S)-1-(6-ethyl-3-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethoxy]-4-oxobutanoic acid;[(1S)-1-(6-ethyl-3-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] acetate;[(1R)-1-(6-ethyl-3-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] acetate;[1-(6-ethyl-3-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] benzoate
CID 158340348
Ethane;methane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 158587620
[(1S)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] acetate;[2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] benzoate;[(1R)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] hexanoate;4-[(1S)-1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethoxy]-4-oxobutanoic acid;[1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] benzoate;methane
CID 158766563
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione;[(1S)-1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] acetate;[(1R)-1-(5-ethyl-2-pyridinyl)-2-[4-[(2-methyl-3,5-dioxothiolan-2-yl)methyl]phenoxy]ethyl] acetate;bis(5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione);5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione
CID 158854295
[(1S)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] acetate;[2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] benzoate;[(1R)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] 2,2-dimethylpropanoate;[(1R)-2-[4-[(3,5-dioxothiolan-2-yl)methyl]phenoxy]-1-(5-ethyl-2-pyridinyl)ethyl] hexanoate;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione;methane
CID 158881019
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methylthiolane-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]thiolane-2,4-dione
CID 159345856

Frequently Asked Questions

What is the IUPAC name of bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate (CID 167676083) is bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate is CCOc1ccc(-c2cccc(C(=O)OCC3=CCC=C3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCC3=CCC=C3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccco3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3cccs3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccsc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccccn3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCc3ccco3)n2)cc1.
What is the InChIKey of bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
The InChIKey is UVFCISWLCVINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19NO3.C20H18N2O3.C20H19NO4.2C20H19NO3S.2C20H19NO3.C19H17NO4/c2*1-2-24-18-13-11-17(12-14-18)19-9-6-10-20(22-19)21(23)25-15-16-7-4-3-5-8-16;1-2-24-17-11-9-15(10-12-17)18-7-5-8-19(22-18)20(23)25-14-16-6-3-4-13-21-16;1-2-23-17-10-8-15(9-11-17)18-6-3-7-19(21-18)20(22)25-14-12-16-5-4-13-24-16;1-2-23-16-10-8-15(9-11-16)18-6-3-7-19(21-18)20(22)24-13-12-17-5-4-14-25-17;1-2-23-17-8-6-16(7-9-17)18-4-3-5-19(21-18)20(22)24-12-10-15-11-13-25-14-15;2*1-2-23-17-12-10-16(11-13-17)18-8-5-9-19(21-18)20(22)24-14-15-6-3-4-7-15;1-2-22-15-10-8-14(9-11-15)17-6-3-7-18(20-17)19(21)24-13-16-5-4-12-23-16/h2*3-14H,2,15H2,1H3;3-13H,2,14H2,1H3;3-11,13H,2,12,14H2,1H3;3-11,14H,2,12-13H2,1H3;3-9,11,13-14H,2,10,12H2,1H3;2*3,5-13H,2,4,14H2,1H3;3-12H,2,13H2,1H3.
What are the key properties of bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate has a molecular weight of 3011.51 g/mol, XLogP of 38.74, 57 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 167676083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).