ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate

C112H162Br5N17O14 — CID 160657731

IUPACethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(CCC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CC3CCC2C3)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2OC)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC[C@H]2O)CC1
InChIInChI=1S/C20H29BrN2O2.2C19H28BrN3O3.C19H26BrN3O2.C18H27N3O2.C17H24BrN3O2/c1-25-20(24)18-13-17(21)14-22-19(18)23-11-9-16(10-12-23)8-7-15-5-3-2-4-6-15;1-25-17-6-4-3-5-16(17)22-14-7-9-23(10-8-14)18-15(19(24)26-2)11-13(20)12-21-18;1-26-19(25)15-11-13(20)12-21-18(15)23-9-7-14(8-10-23)22-16-5-3-2-4-6-17(16)24;1-25-19(24)16-10-14(20)11-21-18(16)23-6-4-15(5-7-23)22-17-9-12-2-3-13(17)8-12;1-2-23-18(22)16-9-6-11-19-17(16)21-12-10-15(13-21)20-14-7-4-3-5-8-14;1-23-17(22)15-10-12(18)11-19-16(15)21-8-6-14(7-9-21)20-13-4-2-3-5-13/h13-16H,2-12H2,1H3;11-12,14,16-17,22H,3-10H2,1-2H3;11-12,14,16-17,22,24H,2-10H2,1H3;10-13,15,17,22H,2-9H2,1H3;6,9,11,14-15,20H,2-5,7-8,10,12-13H2,1H3;10-11,13-14,20H,2-9H2,1H3/t;;16?,17-;;;/m..1.../s1
InChIKeyRLGQYZBVMCZLQX-TXNYRFAESA-N
MW2370.15 g/mol
LogP20.51
Rot. Bonds27

About ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate

ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 160657731) has the molecular formula C112H162Br5N17O14 and a molecular weight of 2370.15 g/mol. Its IUPAC name is ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID160657731
Molecular FormulaC112H162Br5N17O14
Molecular Weight2370.15 g/mol
Exact Mass2363.84
IUPAC Nameethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(CCC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CC3CCC2C3)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2OC)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC[C@H]2O)CC1
InChIInChI=1S/C20H29BrN2O2.2C19H28BrN3O3.C19H26BrN3O2.C18H27N3O2.C17H24BrN3O2/c1-25-20(24)18-13-17(21)14-22-19(18)23-11-9-16(10-12-23)8-7-15-5-3-2-4-6-15;1-25-17-6-4-3-5-16(17)22-14-7-9-23(10-8-14)18-15(19(24)26-2)11-13(20)12-21-18;1-26-19(25)15-11-13(20)12-21-18(15)23-9-7-14(8-10-23)22-16-5-3-2-4-6-17(16)24;1-25-19(24)16-10-14(20)11-21-18(16)23-6-4-15(5-7-23)22-17-9-12-2-3-13(17)8-12;1-2-23-18(22)16-9-6-11-19-17(16)21-12-10-15(13-21)20-14-7-4-3-5-8-14;1-23-17(22)15-10-12(18)11-19-16(15)21-8-6-14(7-9-21)20-13-4-2-3-5-13/h13-16H,2-12H2,1H3;11-12,14,16-17,22H,3-10H2,1-2H3;11-12,14,16-17,22,24H,2-10H2,1H3;10-13,15,17,22H,2-9H2,1H3;6,9,11,14-15,20H,2-5,7-8,10,12-13H2,1H3;10-11,13-14,20H,2-9H2,1H3/t;;16?,17-;;;/m..1.../s1
InChIKeyRLGQYZBVMCZLQX-TXNYRFAESA-N
XLogP20.51
TPSA344.19 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.15
LogP ≤ 520.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

bis([1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol);3-O-ethyl 5-O-methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate
CID 157584327
1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol
CID 158202469
methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 158371668
5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate
CID 158735325
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
Methyl 5-bromo-2-(2-cyclohexyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-fluoropiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[cyclohexyl(methyl)amino]-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylmethyl)-4-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carboxylate
CID 158855157
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
Methyl 5-bromo-2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 161539725
Methyl 5-bromo-2-[4-(cycloheptylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclooctylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2,3-dimethylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 161717451

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate (CID 160657731) is ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N1CCC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(CCC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CC3CCC2C3)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2OC)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC[C@H]2O)CC1.
What is the InChIKey of ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is RLGQYZBVMCZLQX-TXNYRFAESA-N. The full InChI is InChI=1S/C20H29BrN2O2.2C19H28BrN3O3.C19H26BrN3O2.C18H27N3O2.C17H24BrN3O2/c1-25-20(24)18-13-17(21)14-22-19(18)23-11-9-16(10-12-23)8-7-15-5-3-2-4-6-15;1-25-17-6-4-3-5-16(17)22-14-7-9-23(10-8-14)18-15(19(24)26-2)11-13(20)12-21-18;1-26-19(25)15-11-13(20)12-21-18(15)23-9-7-14(8-10-23)22-16-5-3-2-4-6-17(16)24;1-25-19(24)16-10-14(20)11-21-18(16)23-6-4-15(5-7-23)22-17-9-12-2-3-13(17)8-12;1-2-23-18(22)16-9-6-11-19-17(16)21-12-10-15(13-21)20-14-7-4-3-5-8-14;1-23-17(22)15-10-12(18)11-19-16(15)21-8-6-14(7-9-21)20-13-4-2-3-5-13/h13-16H,2-12H2,1H3;11-12,14,16-17,22H,3-10H2,1-2H3;11-12,14,16-17,22,24H,2-10H2,1H3;10-13,15,17,22H,2-9H2,1H3;6,9,11,14-15,20H,2-5,7-8,10,12-13H2,1H3;10-11,13-14,20H,2-9H2,1H3/t;;16?,17-;;;/m..1.../s1.
What are the key properties of ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 2370.15 g/mol, XLogP of 20.51, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(2-bicyclo[2.2.1]heptanylamino)piperidin-1-yl]-5-bromopyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-cyclohexylethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycycloheptyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 160657731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).