methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate

C131H192Br7N21O20 — CID 158784954

About methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate

methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 158784954) has the molecular formula C131H192Br7N21O20 and a molecular weight of 2940.43 g/mol. Its IUPAC name is methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 158784954
• Molecular Formula: C131H192Br7N21O20
• Molecular Weight: 2940.43 g/mol
• Exact Mass: 2931.89
• IUPAC Name: methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cc(Br)cnc1N1CC(O)C(NC2CCCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C)(C)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1C.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2CO)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCCC(NC2CCCCC2)CC1
• InChI: InChI=1S/C20H30BrN3O2.2C19H28BrN3O3.2C19H28BrN3O2.C18H26BrN3O4.C17H24BrN3O4/c1-20(2)13-24(10-9-17(20)23-15-7-5-4-6-8-15)18-16(19(25)26-3)11-14(21)12-22-18;1-26-19(25)16-10-14(20)11-21-18(16)23-8-6-15(7-9-23)22-17-5-3-2-4-13(17)12-24;1-26-19(25)15-10-13(20)11-21-18(15)23-9-8-16(17(24)12-23)22-14-6-4-2-3-5-7-14;1-13-10-16(22-15-6-4-3-5-7-15)8-9-23(13)18-17(19(24)25-2)11-14(20)12-21-18;1-25-19(24)17-12-14(20)13-21-18(17)23-10-5-8-16(9-11-23)22-15-6-3-2-4-7-15;1-26-18(25)13-7-11(19)8-20-17(13)22-9-14(23)16(15(24)10-22)21-12-5-3-2-4-6-12;1-24-17(23)13-8-11(18)9-19-16(13)21-5-2-14(15(22)10-21)20-12-3-6-25-7-4-12/h11-12,15,17,23H,4-10,13H2,1-3H3;10-11,13,15,17,22,24H,2-9,12H2,1H3;10-11,14,16-17,22,24H,2-9,12H2,1H3;11-13,15-16,22H,3-10H2,1-2H3;12-13,15-16,22H,2-11H2,1H3;7-8,12,14-16,21,23-24H,2-6,9-10H2,1H3;8-9,12,14-15,20,22H,2-7,10H2,1H3
• InChIKey: IRODPFCUAMDDFR-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 491.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2940.43
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 158784954) is methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1N1CC(O)C(NC2CCCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C)(C)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1C.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2CO)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCCC(NC2CCCCC2)CC1.

What is the InChIKey of methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

The InChIKey is IRODPFCUAMDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN3O2.2C19H28BrN3O3.2C19H28BrN3O2.C18H26BrN3O4.C17H24BrN3O4/c1-20(2)13-24(10-9-17(20)23-15-7-5-4-6-8-15)18-16(19(25)26-3)11-14(21)12-22-18;1-26-19(25)16-10-14(20)11-21-18(16)23-8-6-15(7-9-23)22-17-5-3-2-4-13(17)12-24;1-26-19(25)15-10-13(20)11-21-18(15)23-9-8-16(17(24)12-23)22-14-6-4-2-3-5-7-14;1-13-10-16(22-15-6-4-3-5-7-15)8-9-23(13)18-17(19(24)25-2)11-14(20)12-21-18;1-25-19(24)17-12-14(20)13-21-18(17)23-10-5-8-16(9-11-23)22-15-6-3-2-4-7-15;1-26-18(25)13-7-11(19)8-20-17(13)22-9-14(23)16(15(24)10-22)21-12-5-3-2-4-6-12;1-24-17(23)13-8-11(18)9-19-16(13)21-5-2-14(15(22)10-21)20-12-3-6-25-7-4-12/h11-12,15,17,23H,4-10,13H2,1-3H3;10-11,13,15,17,22,24H,2-9,12H2,1H3;10-11,14,16-17,22,24H,2-9,12H2,1H3;11-13,15-16,22H,3-10H2,1-2H3;12-13,15-16,22H,2-11H2,1H3;7-8,12,14-16,21,23-24H,2-6,9-10H2,1H3;8-9,12,14-15,20,22H,2-7,10H2,1H3.

What are the key properties of methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 2940.43 g/mol, XLogP of 20.41, 29 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-bromo-2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)azepan-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,5-dihydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3,3-dimethylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-2-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 158784954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).