methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate

C127H187Br4N23O22 — CID 159924802

IUPACmethyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1N1CCC(N)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2C)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2C)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)C(CO)C1.COC(=O)c1cc(CC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(N)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C21H31N3O3.2C20H30BrN3O3.C18H26BrN3O4.C18H26N4O4.C18H28N4O2.C12H16BrN3O3/c1-15(25)12-16-13-19(21(26)27-2)20(22-14-16)24-10-8-18(9-11-24)23-17-6-4-3-5-7-17;2*1-13-5-3-4-6-17(13)23-18-7-8-24(11-14(18)12-25)19-16(20(26)27-2)9-15(21)10-22-19;1-25-18(24)15-8-13(19)9-20-17(15)22-5-2-16(12(10-22)11-23)21-14-3-6-26-7-4-14;1-26-18(23)16-11-15(22(24)25)12-19-17(16)21-9-7-14(8-10-21)20-13-5-3-2-4-6-13;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-19-12(18)8-4-7(13)5-15-11(8)16-3-2-9(14)10(17)6-16/h13-14,17-18,23H,3-12H2,1-2H3;2*9-10,13-14,17-18,23,25H,3-8,11-12H2,1-2H3;8-9,12,14,16,21,23H,2-7,10-11H2,1H3;11-14,20H,2-10H2,1H3;11-12,14-15,21H,2-10,19H2,1H3;4-5,9-10,17H,2-3,6,14H2,1H3
InChIKeyNYWIRCGIBJXSTD-UHFFFAOYSA-N
MW2707.65 g/mol
LogP15.99
Rot. Bonds32

About methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate

methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate (PubChem CID 159924802) has the molecular formula C127H187Br4N23O22 and a molecular weight of 2707.65 g/mol. Its IUPAC name is methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
PubChem CID159924802
Molecular FormulaC127H187Br4N23O22
Molecular Weight2707.65 g/mol
Exact Mass2702.10
IUPAC Namemethyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1N1CCC(N)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2C)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2C)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)C(CO)C1.COC(=O)c1cc(CC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(N)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C21H31N3O3.2C20H30BrN3O3.C18H26BrN3O4.C18H26N4O4.C18H28N4O2.C12H16BrN3O3/c1-15(25)12-16-13-19(21(26)27-2)20(22-14-16)24-10-8-18(9-11-24)23-17-6-4-3-5-7-17;2*1-13-5-3-4-6-17(13)23-18-7-8-24(11-14(18)12-25)19-16(20(26)27-2)9-15(21)10-22-19;1-25-18(24)15-8-13(19)9-20-17(15)22-5-2-16(12(10-22)11-23)21-14-3-6-26-7-4-14;1-26-18(23)16-11-15(22(24)25)12-19-17(16)21-9-7-14(8-10-21)20-13-5-3-2-4-6-13;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-19-12(18)8-4-7(13)5-15-11(8)16-3-2-9(14)10(17)6-16/h13-14,17-18,23H,3-12H2,1-2H3;2*9-10,13-14,17-18,23,25H,3-8,11-12H2,1-2H3;8-9,12,14,16,21,23H,2-7,10-11H2,1H3;11-14,20H,2-10H2,1H3;11-12,14-15,21H,2-10,19H2,1H3;4-5,9-10,17H,2-3,6,14H2,1H3
InChIKeyNYWIRCGIBJXSTD-UHFFFAOYSA-N
XLogP15.99
TPSA571.59 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002707.65
LogP ≤ 515.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate with MolForge

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Related Compounds

1-[5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]ethanone;1-[5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]ethanone;3-O-ethyl 5-O-methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;3-O-ethyl 5-O-methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopentyl)pyridine-3-carboxylate
CID 157563596
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
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
1-[5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-iodopyridine-3-carboxylate
CID 161132988
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
1-[5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]ethanone;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);[1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(cyclohexylamino)piperidin-3-yl]methanol;1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine;ethyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 161964840

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate (CID 159924802) is methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1N1CCC(N)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2C)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2C)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)C(CO)C1.COC(=O)c1cc(CC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(N)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
The InChIKey is NYWIRCGIBJXSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.2C20H30BrN3O3.C18H26BrN3O4.C18H26N4O4.C18H28N4O2.C12H16BrN3O3/c1-15(25)12-16-13-19(21(26)27-2)20(22-14-16)24-10-8-18(9-11-24)23-17-6-4-3-5-7-17;2*1-13-5-3-4-6-17(13)23-18-7-8-24(11-14(18)12-25)19-16(20(26)27-2)9-15(21)10-22-19;1-25-18(24)15-8-13(19)9-20-17(15)22-5-2-16(12(10-22)11-23)21-14-3-6-26-7-4-14;1-26-18(23)16-11-15(22(24)25)12-19-17(16)21-9-7-14(8-10-21)20-13-5-3-2-4-6-13;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-19-12(18)8-4-7(13)5-15-11(8)16-3-2-9(14)10(17)6-16/h13-14,17-18,23H,3-12H2,1-2H3;2*9-10,13-14,17-18,23,25H,3-8,11-12H2,1-2H3;8-9,12,14,16,21,23H,2-7,10-11H2,1H3;11-14,20H,2-10H2,1H3;11-12,14-15,21H,2-10,19H2,1H3;4-5,9-10,17H,2-3,6,14H2,1H3.
What are the key properties of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate has a molecular weight of 2707.65 g/mol, XLogP of 15.99, 32 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-(4-amino-3-hydroxypiperidin-1-yl)-5-bromopyridine-3-carboxylate;bis(methyl 5-bromo-2-[3-(hydroxymethyl)-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[3-(hydroxymethyl)-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-nitropyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate is sourced from PubChem (CID 159924802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).