methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate

C133H189Br7N20O16 — CID 160747756

About methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate

methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 160747756) has the molecular formula C133H189Br7N20O16 and a molecular weight of 2883.43 g/mol. Its IUPAC name is methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 160747756
• Molecular Formula: C133H189Br7N20O16
• Molecular Weight: 2883.43 g/mol
• Exact Mass: 2874.89
• IUPAC Name: methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cc(Br)cnc1N1C2CCC1CC(NC1CCCCC1)C2.COC(=O)c1cc(Br)cnc1N1CCC(CC2C3CC4CC(C3)CC2C4)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCC(C)CC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCC[C@H]2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(N[C@H](C)C2CCCCC2)CC1
• InChI: InChI=1S/C23H31BrN2O2.C20H28BrN3O2.C20H30BrN3O2.C19H28BrN3O2.2C17H24BrN3O3.C17H24BrN3O2/c1-28-23(27)21-12-19(24)13-25-22(21)26-4-2-14(3-5-26)11-20-17-7-15-6-16(9-17)10-18(20)8-15;1-26-20(25)18-9-13(21)12-22-19(18)24-16-7-8-17(24)11-15(10-16)23-14-5-3-2-4-6-14;1-14(15-6-4-3-5-7-15)23-17-8-10-24(11-9-17)19-18(20(25)26-2)12-16(21)13-22-19;1-13-3-5-15(6-4-13)22-16-7-9-23(10-8-16)18-17(19(24)25-2)11-14(20)12-21-18;1-23-17(22)15-10-12(18)11-19-16(15)21-6-2-13(3-7-21)20-14-4-8-24-9-5-14;1-24-17(23)13-9-11(18)10-19-16(13)21-7-5-12(6-8-21)20-14-3-2-4-15(14)22;1-23-17(22)15-9-12(18)10-19-16(15)21-8-7-14(11-21)20-13-5-3-2-4-6-13/h12-18,20H,2-11H2,1H3;9,12,14-17,23H,2-8,10-11H2,1H3;12-15,17,23H,3-11H2,1-2H3;11-13,15-16,22H,3-10H2,1-2H3;10-11,13-14,20H,2-9H2,1H3;9-10,12,14-15,20,22H,2-8H2,1H3;9-10,13-14,20H,2-8,11H2,1H3/t;;14-;;;14?,15-;/m..1..1./s1
• InChIKey: RWKHAQSZHUIIDC-SVIFOXBYSA-N
• XLogP: 24.89
• TPSA: 398.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2883.43
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 160747756) is methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1N1C2CCC1CC(NC1CCCCC1)C2.COC(=O)c1cc(Br)cnc1N1CCC(CC2C3CC4CC(C3)CC2C4)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCC(C)CC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCC[C@H]2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(N[C@H](C)C2CCCCC2)CC1.

What is the InChIKey of methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

The InChIKey is RWKHAQSZHUIIDC-SVIFOXBYSA-N. The full InChI is InChI=1S/C23H31BrN2O2.C20H28BrN3O2.C20H30BrN3O2.C19H28BrN3O2.2C17H24BrN3O3.C17H24BrN3O2/c1-28-23(27)21-12-19(24)13-25-22(21)26-4-2-14(3-5-26)11-20-17-7-15-6-16(9-17)10-18(20)8-15;1-26-20(25)18-9-13(21)12-22-19(18)24-16-7-8-17(24)11-15(10-16)23-14-5-3-2-4-6-14;1-14(15-6-4-3-5-7-15)23-17-8-10-24(11-9-17)19-18(20(25)26-2)12-16(21)13-22-19;1-13-3-5-15(6-4-13)22-16-7-9-23(10-8-16)18-17(19(24)25-2)11-14(20)12-21-18;1-23-17(22)15-10-12(18)11-19-16(15)21-6-2-13(3-7-21)20-14-4-8-24-9-5-14;1-24-17(23)13-9-11(18)10-19-16(13)21-7-5-12(6-8-21)20-14-3-2-4-15(14)22;1-23-17(22)15-9-12(18)10-19-16(15)21-8-7-14(11-21)20-13-5-3-2-4-6-13/h12-18,20H,2-11H2,1H3;9,12,14-17,23H,2-8,10-11H2,1H3;12-15,17,23H,3-11H2,1-2H3;11-13,15-16,22H,3-10H2,1-2H3;10-11,13-14,20H,2-9H2,1H3;9-10,12,14-15,20,22H,2-8H2,1H3;9-10,13-14,20H,2-8,11H2,1H3/t;;14-;;;14?,15-;/m..1..1./s1.

What are the key properties of methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate?

methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 2883.43 g/mol, XLogP of 24.89, 29 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(1R)-1-cyclohexylethyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclopentyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 160747756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).