N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane

C129H189N13O11 — CID 159054069

About N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane

N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane (PubChem CID 159054069) has the molecular formula C129H189N13O11 and a molecular weight of 2098.01 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane.

Molecular Properties

• Compound Name: N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane
• PubChem CID: 159054069
• Molecular Formula: C129H189N13O11
• Molecular Weight: 2098.01 g/mol
• Exact Mass: 2096.46
• IUPAC Name: N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane
• SMILES: C.C.C.C.CC(C)(C)OC(=O)c1cnc(CC23CC4CC(CC(C4)C2)C3)c(N)c1.CC(C)(C)OC(=O)c1cnc(CC23CC4CC(CC(C4)C2)C3)c(NC2CCCCC2)c1.CC(C)(C)OC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccccc3)c2)n1
• InChI: InChI=1S/C27H40N2O2.C23H27N3O.C22H28N2O2.C21H30N2O2.C17H26N2O2.C15H22N2O2.4CH4/c1-26(2,3)31-25(30)21-12-23(29-22-7-5-4-6-8-22)24(28-17-21)16-27-13-18-9-19(14-27)11-20(10-18)15-27;1-17-25-23(27-26-17)21-13-12-20(14-18-8-4-2-5-9-18)22(15-21)24-16-19-10-6-3-7-11-19;1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-20(2,3)25-19(24)16-7-17(22)18(23-12-16)11-21-8-13-4-14(9-21)6-15(5-13)10-21;1-17(2,3)21-16(20)13-10-14(18)15(19-11-13)9-12-7-5-4-6-8-12;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11;;;;/h12,17-20,22,29H,4-11,13-16H2,1-3H3;3,6-7,10-13,15,18,24H,2,4-5,8-9,14,16H2,1H3;4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;7,12-15H,4-6,8-11,22H2,1-3H3;10-12H,4-9,18H2,1-3H3;9-11H,2-8,16H2,1H3;4*1H4
• InChIKey: JXQGDKAAZNRQTL-UHFFFAOYSA-N
• XLogP: 30.94
• TPSA: 349.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2098.01
LogP ≤ 5	30.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane?

The IUPAC name of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane (CID 159054069) is N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane.

What is the SMILES notation for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane?

The canonical SMILES for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane is C.C.C.C.CC(C)(C)OC(=O)c1cnc(CC23CC4CC(CC(C4)C2)C3)c(N)c1.CC(C)(C)OC(=O)c1cnc(CC23CC4CC(CC(C4)C2)C3)c(NC2CCCCC2)c1.CC(C)(C)OC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(N)c1.CCOC(=O)c1cnc(CC2CCCCC2)c(NCc2ccccc2)c1.Cc1noc(-c2ccc(CC3CCCCC3)c(NCc3ccccc3)c2)n1.

What is the InChIKey of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane?

The InChIKey is JXQGDKAAZNRQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2.C23H27N3O.C22H28N2O2.C21H30N2O2.C17H26N2O2.C15H22N2O2.4CH4/c1-26(2,3)31-25(30)21-12-23(29-22-7-5-4-6-8-22)24(28-17-21)16-27-13-18-9-19(14-27)11-20(10-18)15-27;1-17-25-23(27-26-17)21-13-12-20(14-18-8-4-2-5-9-18)22(15-21)24-16-19-10-6-3-7-11-19;1-2-26-22(25)19-14-21(23-15-18-11-7-4-8-12-18)20(24-16-19)13-17-9-5-3-6-10-17;1-20(2,3)25-19(24)16-7-17(22)18(23-12-16)11-21-8-13-4-14(9-21)6-15(5-13)10-21;1-17(2,3)21-16(20)13-10-14(18)15(19-11-13)9-12-7-5-4-6-8-12;1-2-19-15(18)12-9-13(16)14(17-10-12)8-11-6-4-3-5-7-11;;;;/h12,17-20,22,29H,4-11,13-16H2,1-3H3;3,6-7,10-13,15,18,24H,2,4-5,8-9,14,16H2,1H3;4,7-8,11-12,14,16-17,23H,2-3,5-6,9-10,13,15H2,1H3;7,12-15H,4-6,8-11,22H2,1-3H3;10-12H,4-9,18H2,1-3H3;9-11H,2-8,16H2,1H3;4*1H4.

What are the key properties of N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane?

N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane has a molecular weight of 2098.01 g/mol, XLogP of 30.94, 28 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline;tert-butyl 6-(1-adamantylmethyl)-5-aminopyridine-3-carboxylate;tert-butyl 6-(1-adamantylmethyl)-5-(cyclohexylamino)pyridine-3-carboxylate;tert-butyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;methane is sourced from PubChem (CID 159054069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).