tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline

C135H162Cl4F9N21O13 — CID 158310533

About tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline

tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline (PubChem CID 158310533) has the molecular formula C135H162Cl4F9N21O13 and a molecular weight of 2599.71 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline
• PubChem CID: 158310533
• Molecular Formula: C135H162Cl4F9N21O13
• Molecular Weight: 2599.71 g/mol
• Exact Mass: 2596.13
• IUPAC Name: tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline
• SMILES: Cc1ccc(N)cc1-c1cc(Cl)nc(Cl)c1.Cc1ccc(N)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2=CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1
• InChI: InChI=1S/C35H48F3N5O4.C35H40F3N5O4.C30H33ClF3N5O3.C23H31ClN4O2.C12H10Cl2N2/c2*1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-18-6-7-21(36-26(40)19-8-11-35-23(14-19)30(32,33)34)17-22(18)20-15-24(31)37-25(16-20)39-12-9-29(5,10-13-39)38-27(41)42-28(2,3)4;1-15-6-7-17(25)14-18(15)16-12-19(24)26-20(13-16)28-10-8-23(5,9-11-28)27-21(29)30-22(2,3)4;1-7-2-3-9(15)6-10(7)8-4-11(13)16-12(14)5-8/h6-7,18,20-21,23-24,29,39H,8-17,19H2,1-5H3,(H,40,44)(H,42,45);6-9,13,18-21H,10-12,14-17H2,1-5H3,(H,40,44)(H,42,45);6-8,11,14-17H,9-10,12-13H2,1-5H3,(H,36,40)(H,38,41);6-7,12-14H,8-11,25H2,1-5H3,(H,27,29);2-6H,15H2,1H3
• InChIKey: GNPXKDINIFPYGI-UHFFFAOYSA-N
• XLogP: 30.50
• TPSA: 426.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2599.71
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline?

The IUPAC name of tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline (CID 158310533) is tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline.

What is the SMILES notation for tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline?

The canonical SMILES for tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline is Cc1ccc(N)cc1-c1cc(Cl)nc(Cl)c1.Cc1ccc(N)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2=CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.

What is the InChIKey of tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline?

The InChIKey is GNPXKDINIFPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48F3N5O4.C35H40F3N5O4.C30H33ClF3N5O3.C23H31ClN4O2.C12H10Cl2N2/c2*1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-18-6-7-21(36-26(40)19-8-11-35-23(14-19)30(32,33)34)17-22(18)20-15-24(31)37-25(16-20)39-12-9-29(5,10-13-39)38-27(41)42-28(2,3)4;1-15-6-7-17(25)14-18(15)16-12-19(24)26-20(13-16)28-10-8-23(5,9-11-28)27-21(29)30-22(2,3)4;1-7-2-3-9(15)6-10(7)8-4-11(13)16-12(14)5-8/h6-7,18,20-21,23-24,29,39H,8-17,19H2,1-5H3,(H,40,44)(H,42,45);6-9,13,18-21H,10-12,14-17H2,1-5H3,(H,40,44)(H,42,45);6-8,11,14-17H,9-10,12-13H2,1-5H3,(H,36,40)(H,38,41);6-7,12-14H,8-11,25H2,1-5H3,(H,27,29);2-6H,15H2,1H3.

What are the key properties of tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline?

tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline has a molecular weight of 2599.71 g/mol, XLogP of 30.50, 21 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline is sourced from PubChem (CID 158310533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).