2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate

C179H182BrClN22O4 — CID 159342725

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate (PubChem CID 159342725) has the molecular formula C179H182BrClN22O4 and a molecular weight of 2820.93 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate.

Molecular Properties

• Compound Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate
• PubChem CID: 159342725
• Molecular Formula: C179H182BrClN22O4
• Molecular Weight: 2820.93 g/mol
• Exact Mass: 2817.36
• IUPAC Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate
• SMILES: Brc1ccc(-c2ccc(C3=CCN(Cc4ccccc4)CC3)nc2)cc1.C1=C(c2ccc(-c3ccccc3)cn2)CCN(Cc2ccccc2)C1.CO/C=N/c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)nc1.Cc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1C.Clc1ccc(-c2ccc(C3=CCN(Cc4ccccc4)CC3)nc2)cc1.NC(=O)c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.[C-]#[N+]c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1
• InChI: InChI=1S/C23H21BrN2.C23H21ClN2.C23H22N2.C19H21N3O.C19H20N2O2.C19H22N2.C18H19N3O.C18H17N3.C17H19N3/c2*24-22-9-6-19(7-10-22)21-8-11-23(25-16-21)20-12-14-26(15-13-20)17-18-4-2-1-3-5-18;1-3-7-19(8-4-1)18-25-15-13-21(14-16-25)23-12-11-22(17-24-23)20-9-5-2-6-10-20;1-23-15-21-18-7-8-19(20-13-18)17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;1-15-7-8-18(20-13-15)17-9-11-21(12-10-17)19(22)23-14-16-5-3-2-4-6-16;1-15-8-9-19(20-16(15)2)18-10-12-21(13-11-18)14-17-6-4-3-5-7-17;19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14/h2*1-12,16H,13-15,17H2;1-13,17H,14-16,18H2;2-9,13,15H,10-12,14H2,1H3;2-9,13H,10-12,14H2,1H3;3-10H,11-14H2,1-2H3;1-8,12H,9-11,13H2,(H2,19,22);2-9,13H,10-12,14H2;1-8,12H,9-11,13,18H2/b;;;21-15+
• InChIKey: LGIHZAUYTJFERA-OTSNGCEWSA-N
• XLogP: 37.35
• TPSA: 266.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2820.93
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate?

The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate (CID 159342725) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate.

What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate?

The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate is Brc1ccc(-c2ccc(C3=CCN(Cc4ccccc4)CC3)nc2)cc1.C1=C(c2ccc(-c3ccccc3)cn2)CCN(Cc2ccccc2)C1.CO/C=N/c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)nc1.Cc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1C.Clc1ccc(-c2ccc(C3=CCN(Cc4ccccc4)CC3)nc2)cc1.NC(=O)c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.[C-]#[N+]c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1.

What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate?

The InChIKey is LGIHZAUYTJFERA-OTSNGCEWSA-N. The full InChI is InChI=1S/C23H21BrN2.C23H21ClN2.C23H22N2.C19H21N3O.C19H20N2O2.C19H22N2.C18H19N3O.C18H17N3.C17H19N3/c2*24-22-9-6-19(7-10-22)21-8-11-23(25-16-21)20-12-14-26(15-13-20)17-18-4-2-1-3-5-18;1-3-7-19(8-4-1)18-25-15-13-21(14-16-25)23-12-11-22(17-24-23)20-9-5-2-6-10-20;1-23-15-21-18-7-8-19(20-13-18)17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;1-15-7-8-18(20-13-15)17-9-11-21(12-10-17)19(22)23-14-16-5-3-2-4-6-16;1-15-8-9-19(20-16(15)2)18-10-12-21(13-11-18)14-17-6-4-3-5-7-17;19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14/h2*1-12,16H,13-15,17H2;1-13,17H,14-16,18H2;2-9,13,15H,10-12,14H2,1H3;2-9,13H,10-12,14H2,1H3;3-10H,11-14H2,1-2H3;1-8,12H,9-11,13H2,(H2,19,22);2-9,13H,10-12,14H2;1-8,12H,9-11,13,18H2/b;;;21-15+;;;;;.

What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate?

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate has a molecular weight of 2820.93 g/mol, XLogP of 37.35, 33 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate is sourced from PubChem (CID 159342725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).