tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline

C81H111BCl3N9O18 — CID 161338251

IUPACtert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N.COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1[N+](=O)[O-].COc1cc(C2=CCN(C)CC2)c(C)cc1N.COc1cc(Cl)c(C)cc1[N+](=O)[O-].Cc1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C18H24N2O5.C18H26N2O3.C16H28BNO4.C14H20N2O.C8H8ClNO3.C7H5Cl2NO2/c1-12-10-15(20(22)23)16(24-5)11-14(12)13-6-8-19(9-7-13)17(21)25-18(2,3)4;1-12-10-15(19)16(22-5)11-14(12)13-6-8-20(9-7-13)17(21)23-18(2,3)4;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-10-8-13(15)14(17-3)9-12(10)11-4-6-16(2)7-5-11;1-5-3-7(10(11)12)8(13-2)4-6(5)9;1-4-2-7(10(11)12)6(9)3-5(4)8/h6,10-11H,7-9H2,1-5H3;6,10-11H,7-9,19H2,1-5H3;8H,9-11H2,1-7H3;4,8-9H,5-7,15H2,1-3H3;3-4H,1-2H3;2-3H,1H3
InChIKeyVMIDCTWAEUHMMB-UHFFFAOYSA-N
MW1615.99 g/mol
LogP18.81
Rot. Bonds11

About tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline

tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline (PubChem CID 161338251) has the molecular formula C81H111BCl3N9O18 and a molecular weight of 1615.99 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
PubChem CID161338251
Molecular FormulaC81H111BCl3N9O18
Molecular Weight1615.99 g/mol
Exact Mass1613.72
IUPAC Nametert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N.COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1[N+](=O)[O-].COc1cc(C2=CCN(C)CC2)c(C)cc1N.COc1cc(Cl)c(C)cc1[N+](=O)[O-].Cc1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C18H24N2O5.C18H26N2O3.C16H28BNO4.C14H20N2O.C8H8ClNO3.C7H5Cl2NO2/c1-12-10-15(20(22)23)16(24-5)11-14(12)13-6-8-19(9-7-13)17(21)25-18(2,3)4;1-12-10-15(19)16(22-5)11-14(12)13-6-8-20(9-7-13)17(21)23-18(2,3)4;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-10-8-13(15)14(17-3)9-12(10)11-4-6-16(2)7-5-11;1-5-3-7(10(11)12)8(13-2)4-6(5)9;1-4-2-7(10(11)12)6(9)3-5(4)8/h6,10-11H,7-9H2,1-5H3;6,10-11H,7-9,19H2,1-5H3;8H,9-11H2,1-7H3;4,8-9H,5-7,15H2,1-3H3;3-4H,1-2H3;2-3H,1H3
InChIKeyVMIDCTWAEUHMMB-UHFFFAOYSA-N
XLogP18.81
TPSA328.70 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.99
LogP ≤ 518.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-methoxyaniline;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159685114
4-bromo-5-methyl-2-propan-2-ylaniline;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159221771
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 142992969
tert-butyl 4-[5-(2-deuteriopropan-2-yloxy)-2-methyl-4-nitrophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(2-deuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylaniline
CID 159218997
1-bromo-5-fluoro-2-methyl-4-nitrobenzene;tert-butyl 4-[4-amino-5-(cyclopropylmethoxy)-2-methylphenyl]piperidine-1-carboxylate;tert-butyl 4-[5-(cyclopropylmethoxy)-2-methyl-4-nitrophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropylmethanol;methane
CID 161022354
potassium;tert-butyl 4-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl-[4-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]cyclohexyl]oxy-diphenylsilane;4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-ol;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2,2-dimethyl-5-nitro-3H-1-benzofuran;6-fluoro-2,2-dimethyl-5-nitro-3H-1-benzofuran;methanolate
CID 159321900
tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methanol
CID 145172703
1-bromo-5-fluoro-2-methyl-4-nitrobenzene;tert-butyl 4-[4-amino-5-(cyclopropylmethoxy)-2-methylphenyl]piperidine-1-carboxylate;tert-butyl 4-(5-fluoro-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-methyl-5-(2-methylbutoxy)-4-nitrophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropylmethanol;methane
CID 160598984
tert-butyl 4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 161004969
tert-butyl 4-(4,4-dimethyl-1,3,2-dioxaboretan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58946489
2-bromoaniline;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methanethiol
CID 159411259
5-bromo-2-nitropyridine;tert-butyl 4-(6-nitro-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methane
CID 159638063

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The IUPAC name of tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline (CID 161338251) is tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline.
What is the SMILES notation for tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The canonical SMILES for tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N.COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1[N+](=O)[O-].COc1cc(C2=CCN(C)CC2)c(C)cc1N.COc1cc(Cl)c(C)cc1[N+](=O)[O-].Cc1cc([N+](=O)[O-])c(Cl)cc1Cl.
What is the InChIKey of tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The InChIKey is VMIDCTWAEUHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5.C18H26N2O3.C16H28BNO4.C14H20N2O.C8H8ClNO3.C7H5Cl2NO2/c1-12-10-15(20(22)23)16(24-5)11-14(12)13-6-8-19(9-7-13)17(21)25-18(2,3)4;1-12-10-15(19)16(22-5)11-14(12)13-6-8-20(9-7-13)17(21)23-18(2,3)4;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-10-8-13(15)14(17-3)9-12(10)11-4-6-16(2)7-5-11;1-5-3-7(10(11)12)8(13-2)4-6(5)9;1-4-2-7(10(11)12)6(9)3-5(4)8/h6,10-11H,7-9H2,1-5H3;6,10-11H,7-9,19H2,1-5H3;8H,9-11H2,1-7H3;4,8-9H,5-7,15H2,1-3H3;3-4H,1-2H3;2-3H,1H3.
What are the key properties of tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline has a molecular weight of 1615.99 g/mol, XLogP of 18.81, 11 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline is sourced from PubChem (CID 161338251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).