2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

C226H270F2N28O19 — CID 159012935

IUPAC2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate
SMILESCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)cn2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)c2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(F)(F)C4)cc3)c(-c3ccccc3)c2)CC1.CN(C(=O)C1CC1)C1CCC(CC(=O)Nc2cnc(-c3ccc(C(C)(C)N)cc3)c(-c3ccccc3)c2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)cn2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C(C)(C)N)cc3)c(-c3ccccc3)c2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C33H40N4O4.C33H40N4O3.C33H40N4O2.C32H36F2N4O2.C32H38N4O3.C32H38N4O2.C31H38N4O3/c1-32(40)20-33(34,21-32)25-13-11-24(12-14-25)28-19-35-29(18-27(28)23-7-5-4-6-8-23)36-30(38)17-22-9-15-26(16-10-22)37(2)31(39)41-3;1-22(38)37(3)28-15-9-23(10-16-28)17-30(39)36-27-18-29(24-7-5-4-6-8-24)31(35-19-27)25-11-13-26(14-12-25)33(34)20-32(2,40)21-33;1-33(2,34)26-15-13-24(14-16-26)31-29(23-7-5-4-6-8-23)20-27(21-35-31)36-30(38)19-22-9-17-28(18-10-22)37(3)32(39)25-11-12-25;1-21(39)38(2)27-14-8-22(9-15-27)16-29(40)37-26-17-28(23-6-4-3-5-7-23)30(36-18-26)24-10-12-25(13-11-24)31(35)19-32(33,34)20-31;1-36(31(38)39-2)27-15-9-22(10-16-27)19-29(37)35-26-20-28(23-7-4-3-5-8-23)30(34-21-26)24-11-13-25(14-12-24)32(33)17-6-18-32;1-22(37)36(2)27-15-9-23(10-16-27)19-31(38)35-30-20-28(24-7-4-3-5-8-24)29(21-34-30)25-11-13-26(14-12-25)32(33)17-6-18-32;1-31(2,32)24-14-12-23(13-15-24)29-27(22-8-6-5-7-9-22)19-25(20-33-29)34-28(36)18-21-10-16-26(17-11-21)35(3)30(37)38-4/h4-8,11-14,18-19,22,26,40H,9-10,15-17,20-21,34H2,1-3H3,(H,35,36,38);4-8,11-14,18-19,23,28,40H,9-10,15-17,20-21,34H2,1-3H3,(H,36,39);4-8,13-16,20-22,25,28H,9-12,17-19,34H2,1-3H3,(H,36,38);3-7,10-13,17-18,22,27H,8-9,14-16,19-20,35H2,1-2H3,(H,37,40);3-5,7-8,11-14,20-22,27H,6,9-10,15-19,33H2,1-2H3,(H,35,37);3-5,7-8,11-14,20-21,23,27H,6,9-10,15-19,33H2,1-2H3,(H,34,35,38);5-9,12-15,19-21,26H,10-11,16-18,32H2,1-4H3,(H,34,36)
InChIKeyJSSOBUXCRDZWEX-UHFFFAOYSA-N
MW3720.82 g/mol
LogP42.56
Rot. Bonds50

About 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate (PubChem CID 159012935) has the molecular formula C226H270F2N28O19 and a molecular weight of 3720.82 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate
PubChem CID159012935
Molecular FormulaC226H270F2N28O19
Molecular Weight3720.82 g/mol
Exact Mass3718.10
IUPAC Name2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate
SMILESCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)cn2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)c2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(F)(F)C4)cc3)c(-c3ccccc3)c2)CC1.CN(C(=O)C1CC1)C1CCC(CC(=O)Nc2cnc(-c3ccc(C(C)(C)N)cc3)c(-c3ccccc3)c2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)cn2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C(C)(C)N)cc3)c(-c3ccccc3)c2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C33H40N4O4.C33H40N4O3.C33H40N4O2.C32H36F2N4O2.C32H38N4O3.C32H38N4O2.C31H38N4O3/c1-32(40)20-33(34,21-32)25-13-11-24(12-14-25)28-19-35-29(18-27(28)23-7-5-4-6-8-23)36-30(38)17-22-9-15-26(16-10-22)37(2)31(39)41-3;1-22(38)37(3)28-15-9-23(10-16-28)17-30(39)36-27-18-29(24-7-5-4-6-8-24)31(35-19-27)25-11-13-26(14-12-25)33(34)20-32(2,40)21-33;1-33(2,34)26-15-13-24(14-16-26)31-29(23-7-5-4-6-8-23)20-27(21-35-31)36-30(38)19-22-9-17-28(18-10-22)37(3)32(39)25-11-12-25;1-21(39)38(2)27-14-8-22(9-15-27)16-29(40)37-26-17-28(23-6-4-3-5-7-23)30(36-18-26)24-10-12-25(13-11-24)31(35)19-32(33,34)20-31;1-36(31(38)39-2)27-15-9-22(10-16-27)19-29(37)35-26-20-28(23-7-4-3-5-8-23)30(34-21-26)24-11-13-25(14-12-24)32(33)17-6-18-32;1-22(37)36(2)27-15-9-23(10-16-27)19-31(38)35-30-20-28(24-7-4-3-5-8-24)29(21-34-30)25-11-13-26(14-12-25)32(33)17-6-18-32;1-31(2,32)24-14-12-23(13-15-24)29-27(22-8-6-5-7-9-22)19-25(20-33-29)34-28(36)18-21-10-16-26(17-11-21)35(3)30(37)38-4/h4-8,11-14,18-19,22,26,40H,9-10,15-17,20-21,34H2,1-3H3,(H,35,36,38);4-8,11-14,18-19,23,28,40H,9-10,15-17,20-21,34H2,1-3H3,(H,36,39);4-8,13-16,20-22,25,28H,9-12,17-19,34H2,1-3H3,(H,36,38);3-7,10-13,17-18,22,27H,8-9,14-16,19-20,35H2,1-2H3,(H,37,40);3-5,7-8,11-14,20-22,27H,6,9-10,15-19,33H2,1-2H3,(H,35,37);3-5,7-8,11-14,20-21,23,27H,6,9-10,15-19,33H2,1-2H3,(H,34,35,38);5-9,12-15,19-21,26H,10-11,16-18,32H2,1-4H3,(H,34,36)
InChIKeyJSSOBUXCRDZWEX-UHFFFAOYSA-N
XLogP42.56
TPSA686.39 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds50
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003720.82
LogP ≤ 542.56
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?
The IUPAC name of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate (CID 159012935) is 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate is CC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)cn2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)c2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(F)(F)C4)cc3)c(-c3ccccc3)c2)CC1.CN(C(=O)C1CC1)C1CCC(CC(=O)Nc2cnc(-c3ccc(C(C)(C)N)cc3)c(-c3ccccc3)c2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)cn2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C(C)(C)N)cc3)c(-c3ccccc3)c2)CC1.COC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?
The InChIKey is JSSOBUXCRDZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4.C33H40N4O3.C33H40N4O2.C32H36F2N4O2.C32H38N4O3.C32H38N4O2.C31H38N4O3/c1-32(40)20-33(34,21-32)25-13-11-24(12-14-25)28-19-35-29(18-27(28)23-7-5-4-6-8-23)36-30(38)17-22-9-15-26(16-10-22)37(2)31(39)41-3;1-22(38)37(3)28-15-9-23(10-16-28)17-30(39)36-27-18-29(24-7-5-4-6-8-24)31(35-19-27)25-11-13-26(14-12-25)33(34)20-32(2,40)21-33;1-33(2,34)26-15-13-24(14-16-26)31-29(23-7-5-4-6-8-23)20-27(21-35-31)36-30(38)19-22-9-17-28(18-10-22)37(3)32(39)25-11-12-25;1-21(39)38(2)27-14-8-22(9-15-27)16-29(40)37-26-17-28(23-6-4-3-5-7-23)30(36-18-26)24-10-12-25(13-11-24)31(35)19-32(33,34)20-31;1-36(31(38)39-2)27-15-9-22(10-16-27)19-29(37)35-26-20-28(23-7-4-3-5-8-23)30(34-21-26)24-11-13-25(14-12-24)32(33)17-6-18-32;1-22(37)36(2)27-15-9-23(10-16-27)19-31(38)35-30-20-28(24-7-4-3-5-8-24)29(21-34-30)25-11-13-26(14-12-25)32(33)17-6-18-32;1-31(2,32)24-14-12-23(13-15-24)29-27(22-8-6-5-7-9-22)19-25(20-33-29)34-28(36)18-21-10-16-26(17-11-21)35(3)30(37)38-4/h4-8,11-14,18-19,22,26,40H,9-10,15-17,20-21,34H2,1-3H3,(H,35,36,38);4-8,11-14,18-19,23,28,40H,9-10,15-17,20-21,34H2,1-3H3,(H,36,39);4-8,13-16,20-22,25,28H,9-12,17-19,34H2,1-3H3,(H,36,38);3-7,10-13,17-18,22,27H,8-9,14-16,19-20,35H2,1-2H3,(H,37,40);3-5,7-8,11-14,20-22,27H,6,9-10,15-19,33H2,1-2H3,(H,35,37);3-5,7-8,11-14,20-21,23,27H,6,9-10,15-19,33H2,1-2H3,(H,34,35,38);5-9,12-15,19-21,26H,10-11,16-18,32H2,1-4H3,(H,34,36).
What are the key properties of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?
2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate has a molecular weight of 3720.82 g/mol, XLogP of 42.56, 50 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[5-[4-(1-aminocyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcyclopropanecarboxamide;methyl N-[4-[2-[[6-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate;methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 159012935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).