cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate

C142H163N9O27S — CID 167548045

IUPACcyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(-c2ccc(N(C)C)cc2)n1.CCOC(=O)c1cc(C)cc(-c2ccc(OCC)cc2)n1.CCOCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOc1ccc(-c2cc(C)cc(C(=O)OC(C)C)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC3CC3)n2)cc1.CCS(=O)(=O)c1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCCOCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1
InChIInChI=1S/C20H25NO5.C19H23NO4.C18H21NO3.C17H20N2O2.C17H19NO4S.C17H17NO3.2C17H19NO3/c1-15(2)26-20(22)19-6-4-5-18(21-19)16-7-9-17(10-8-16)25-14-13-24-12-11-23-3;1-4-22-12-13-23-16-10-8-15(9-11-16)17-6-5-7-18(20-17)19(21)24-14(2)3;1-5-21-15-8-6-14(7-9-15)16-10-13(4)11-17(19-16)18(20)22-12(2)3;1-12(2)21-17(20)16-7-5-6-15(18-16)13-8-10-14(11-9-13)19(3)4;1-4-23(20,21)14-10-8-13(9-11-14)15-6-5-7-16(18-15)17(19)22-12(2)3;1-2-20-13-8-6-12(7-9-13)15-4-3-5-16(18-15)17(19)21-14-10-11-14;1-12(2)21-17(19)16-6-4-5-15(18-16)14-9-7-13(8-10-14)11-20-3;1-4-20-14-8-6-13(7-9-14)15-10-12(3)11-16(18-15)17(19)21-5-2/h4-10,15H,11-14H2,1-3H3;5-11,14H,4,12-13H2,1-3H3;6-12H,5H2,1-4H3;5-12H,1-4H3;5-12H,4H2,1-3H3;3-9,14H,2,10-11H2,1H3;4-10,12H,11H2,1-3H3;6-11H,4-5H2,1-3H3
InChIKeyCAWNJYWAPWJFEG-UHFFFAOYSA-N
MW2459.97 g/mol
LogP28.15
Rot. Bonds47

About cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate

cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate (PubChem CID 167548045) has the molecular formula C142H163N9O27S and a molecular weight of 2459.97 g/mol. Its IUPAC name is cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate
PubChem CID167548045
Molecular FormulaC142H163N9O27S
Molecular Weight2459.97 g/mol
Exact Mass2458.14
IUPAC Namecyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(-c2ccc(N(C)C)cc2)n1.CCOC(=O)c1cc(C)cc(-c2ccc(OCC)cc2)n1.CCOCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOc1ccc(-c2cc(C)cc(C(=O)OC(C)C)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC3CC3)n2)cc1.CCS(=O)(=O)c1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCCOCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1
InChIInChI=1S/C20H25NO5.C19H23NO4.C18H21NO3.C17H20N2O2.C17H19NO4S.C17H17NO3.2C17H19NO3/c1-15(2)26-20(22)19-6-4-5-18(21-19)16-7-9-17(10-8-16)25-14-13-24-12-11-23-3;1-4-22-12-13-23-16-10-8-15(9-11-16)17-6-5-7-18(20-17)19(21)24-14(2)3;1-5-21-15-8-6-14(7-9-15)16-10-13(4)11-17(19-16)18(20)22-12(2)3;1-12(2)21-17(20)16-7-5-6-15(18-16)13-8-10-14(11-9-13)19(3)4;1-4-23(20,21)14-10-8-13(9-11-14)15-6-5-7-16(18-15)17(19)22-12(2)3;1-2-20-13-8-6-12(7-9-13)15-4-3-5-16(18-15)17(19)21-14-10-11-14;1-12(2)21-17(19)16-6-4-5-15(18-16)14-9-7-13(8-10-14)11-20-3;1-4-20-14-8-6-13(7-9-14)15-10-12(3)11-16(18-15)17(19)21-5-2/h4-10,15H,11-14H2,1-3H3;5-11,14H,4,12-13H2,1-3H3;6-12H,5H2,1-4H3;5-12H,1-4H3;5-12H,4H2,1-3H3;3-9,14H,2,10-11H2,1H3;4-10,12H,11H2,1-3H3;6-11H,4-5H2,1-3H3
InChIKeyCAWNJYWAPWJFEG-UHFFFAOYSA-N
XLogP28.15
TPSA433.97 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds47
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002459.97
LogP ≤ 528.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate (CID 167548045) is cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(-c2ccc(N(C)C)cc2)n1.CCOC(=O)c1cc(C)cc(-c2ccc(OCC)cc2)n1.CCOCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCOc1ccc(-c2cc(C)cc(C(=O)OC(C)C)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC3CC3)n2)cc1.CCS(=O)(=O)c1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCCOCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.
What is the InChIKey of cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is CAWNJYWAPWJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5.C19H23NO4.C18H21NO3.C17H20N2O2.C17H19NO4S.C17H17NO3.2C17H19NO3/c1-15(2)26-20(22)19-6-4-5-18(21-19)16-7-9-17(10-8-16)25-14-13-24-12-11-23-3;1-4-22-12-13-23-16-10-8-15(9-11-16)17-6-5-7-18(20-17)19(21)24-14(2)3;1-5-21-15-8-6-14(7-9-15)16-10-13(4)11-17(19-16)18(20)22-12(2)3;1-12(2)21-17(20)16-7-5-6-15(18-16)13-8-10-14(11-9-13)19(3)4;1-4-23(20,21)14-10-8-13(9-11-14)15-6-5-7-16(18-15)17(19)22-12(2)3;1-2-20-13-8-6-12(7-9-13)15-4-3-5-16(18-15)17(19)21-14-10-11-14;1-12(2)21-17(19)16-6-4-5-15(18-16)14-9-7-13(8-10-14)11-20-3;1-4-20-14-8-6-13(7-9-14)15-10-12(3)11-16(18-15)17(19)21-5-2/h4-10,15H,11-14H2,1-3H3;5-11,14H,4,12-13H2,1-3H3;6-12H,5H2,1-4H3;5-12H,1-4H3;5-12H,4H2,1-3H3;3-9,14H,2,10-11H2,1H3;4-10,12H,11H2,1-3H3;6-11H,4-5H2,1-3H3.
What are the key properties of cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate?
cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 2459.97 g/mol, XLogP of 28.15, 47 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 167548045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).