2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide

C279H285Cl3F2N54O14 — CID 159401994

IUPAC2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cccc1-c1ccncn1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6cccc(-c7cccnc7)c6)CC5)nc4)CC3)ccc2Cl)cn1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6cccc(-c7cccnc7)c6)CC5)nc4)CC3)c2Cl)cn1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1ccncn1.O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1ccc(F)c(-c2ccncn2)c1.O=C(NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccncn5)c4Cl)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1.O=C(NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccncn5)c4F)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/2C41H42ClN7O2.2C40H42N8O2.C39H39ClN8O2.2C39H39FN8O2/c1-28-10-12-33(26-44-28)36-8-3-9-37(39(36)42)41(51)47-34-14-19-48(20-15-34)27-29-11-13-38(45-24-29)49-21-16-35(17-22-49)46-40(50)31-6-2-5-30(23-31)32-7-4-18-43-25-32;1-28-7-9-34(26-44-28)37-23-32(10-11-38(37)42)41(51)46-35-13-18-48(19-14-35)27-29-8-12-39(45-24-29)49-20-15-36(16-21-49)47-40(50)31-5-2-4-30(22-31)33-6-3-17-43-25-33;1-28-35(37-12-18-42-27-44-37)8-3-9-36(28)40(50)46-33-13-19-47(20-14-33)26-29-10-11-38(43-24-29)48-21-15-34(16-22-48)45-39(49)31-6-2-5-30(23-31)32-7-4-17-41-25-32;1-28-7-9-32(23-36(28)37-11-17-42-27-44-37)40(50)45-34-12-18-47(19-13-34)26-29-8-10-38(43-24-29)48-20-14-35(15-21-48)46-39(49)31-5-2-4-30(22-31)33-6-3-16-41-25-33;2*40-37-33(35-11-17-42-26-44-35)7-2-8-34(37)39(50)46-31-12-18-47(19-13-31)25-27-9-10-36(43-23-27)48-20-14-32(15-21-48)45-38(49)29-5-1-4-28(22-29)30-6-3-16-41-24-30;40-35-8-7-30(22-34(35)36-10-16-42-26-44-36)39(50)45-32-11-17-47(18-12-32)25-27-6-9-37(43-23-27)48-19-13-33(14-20-48)46-38(49)29-4-1-3-28(21-29)31-5-2-15-41-24-31/h2-13,18,23-26,34-35H,14-17,19-22,27H2,1H3,(H,46,50)(H,47,51);2-12,17,22-26,35-36H,13-16,18-21,27H2,1H3,(H,46,51)(H,47,50);2-12,17-18,23-25,27,33-34H,13-16,19-22,26H2,1H3,(H,45,49)(H,46,50);2-11,16-17,22-25,27,34-35H,12-15,18-21,26H2,1H3,(H,45,50)(H,46,49);2*1-11,16-17,22-24,26,31-32H,12-15,18-21,25H2,(H,45,49)(H,46,50);1-10,15-16,21-24,26,32-33H,11-14,17-20,25H2,(H,45,50)(H,46,49)
InChIKeyLNLOQTUGQHKDMJ-UHFFFAOYSA-N
MW4763.07 g/mol
LogP42.44
Rot. Bonds63

About 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide

2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide (PubChem CID 159401994) has the molecular formula C279H285Cl3F2N54O14 and a molecular weight of 4763.07 g/mol. Its IUPAC name is 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide
PubChem CID159401994
Molecular FormulaC279H285Cl3F2N54O14
Molecular Weight4763.07 g/mol
Exact Mass4758.23
IUPAC Name2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cccc1-c1ccncn1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6cccc(-c7cccnc7)c6)CC5)nc4)CC3)ccc2Cl)cn1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6cccc(-c7cccnc7)c6)CC5)nc4)CC3)c2Cl)cn1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1ccncn1.O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1ccc(F)c(-c2ccncn2)c1.O=C(NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccncn5)c4Cl)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1.O=C(NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccncn5)c4F)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/2C41H42ClN7O2.2C40H42N8O2.C39H39ClN8O2.2C39H39FN8O2/c1-28-10-12-33(26-44-28)36-8-3-9-37(39(36)42)41(51)47-34-14-19-48(20-15-34)27-29-11-13-38(45-24-29)49-21-16-35(17-22-49)46-40(50)31-6-2-5-30(23-31)32-7-4-18-43-25-32;1-28-7-9-34(26-44-28)37-23-32(10-11-38(37)42)41(51)46-35-13-18-48(19-14-35)27-29-8-12-39(45-24-29)49-20-15-36(16-21-49)47-40(50)31-5-2-4-30(22-31)33-6-3-17-43-25-33;1-28-35(37-12-18-42-27-44-37)8-3-9-36(28)40(50)46-33-13-19-47(20-14-33)26-29-10-11-38(43-24-29)48-21-15-34(16-22-48)45-39(49)31-6-2-5-30(23-31)32-7-4-17-41-25-32;1-28-7-9-32(23-36(28)37-11-17-42-27-44-37)40(50)45-34-12-18-47(19-13-34)26-29-8-10-38(43-24-29)48-20-14-35(15-21-48)46-39(49)31-5-2-4-30(22-31)33-6-3-16-41-25-33;2*40-37-33(35-11-17-42-26-44-35)7-2-8-34(37)39(50)46-31-12-18-47(19-13-31)25-27-9-10-36(43-23-27)48-20-14-32(15-21-48)45-38(49)29-5-1-4-28(22-29)30-6-3-16-41-24-30;40-35-8-7-30(22-34(35)36-10-16-42-26-44-36)39(50)45-32-11-17-47(18-12-32)25-27-6-9-37(43-23-27)48-19-13-33(14-20-48)46-38(49)29-4-1-3-28(21-29)31-5-2-15-41-24-31/h2-13,18,23-26,34-35H,14-17,19-22,27H2,1H3,(H,46,50)(H,47,51);2-12,17,22-26,35-36H,13-16,18-21,27H2,1H3,(H,46,51)(H,47,50);2-12,17-18,23-25,27,33-34H,13-16,19-22,26H2,1H3,(H,45,49)(H,46,50);2-11,16-17,22-25,27,34-35H,12-15,18-21,26H2,1H3,(H,45,50)(H,46,49);2*1-11,16-17,22-24,26,31-32H,12-15,18-21,25H2,(H,45,49)(H,46,50);1-10,15-16,21-24,26,32-33H,11-14,17-20,25H2,(H,45,50)(H,46,49)
InChIKeyLNLOQTUGQHKDMJ-UHFFFAOYSA-N
XLogP42.44
TPSA787.90 Ų
H-Bond Donors14
H-Bond Acceptors54
Rotatable Bonds63
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004763.07
LogP ≤ 542.44
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1054

Analyze 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide?
The IUPAC name of 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide (CID 159401994) is 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide?
The canonical SMILES for 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide is Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cccc1-c1ccncn1.Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6cccc(-c7cccnc7)c6)CC5)nc4)CC3)ccc2Cl)cn1.Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6cccc(-c7cccnc7)c6)CC5)nc4)CC3)c2Cl)cn1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1ccncn1.O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1ccc(F)c(-c2ccncn2)c1.O=C(NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccncn5)c4Cl)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1.O=C(NC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccncn5)c4F)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide?
The InChIKey is LNLOQTUGQHKDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H42ClN7O2.2C40H42N8O2.C39H39ClN8O2.2C39H39FN8O2/c1-28-10-12-33(26-44-28)36-8-3-9-37(39(36)42)41(51)47-34-14-19-48(20-15-34)27-29-11-13-38(45-24-29)49-21-16-35(17-22-49)46-40(50)31-6-2-5-30(23-31)32-7-4-18-43-25-32;1-28-7-9-34(26-44-28)37-23-32(10-11-38(37)42)41(51)46-35-13-18-48(19-14-35)27-29-8-12-39(45-24-29)49-20-15-36(16-21-49)47-40(50)31-5-2-4-30(22-31)33-6-3-17-43-25-33;1-28-35(37-12-18-42-27-44-37)8-3-9-36(28)40(50)46-33-13-19-47(20-14-33)26-29-10-11-38(43-24-29)48-21-15-34(16-22-48)45-39(49)31-6-2-5-30(23-31)32-7-4-17-41-25-32;1-28-7-9-32(23-36(28)37-11-17-42-27-44-37)40(50)45-34-12-18-47(19-13-34)26-29-8-10-38(43-24-29)48-20-14-35(15-21-48)46-39(49)31-5-2-4-30(22-31)33-6-3-16-41-25-33;2*40-37-33(35-11-17-42-26-44-35)7-2-8-34(37)39(50)46-31-12-18-47(19-13-31)25-27-9-10-36(43-23-27)48-20-14-32(15-21-48)45-38(49)29-5-1-4-28(22-29)30-6-3-16-41-24-30;40-35-8-7-30(22-34(35)36-10-16-42-26-44-36)39(50)45-32-11-17-47(18-12-32)25-27-6-9-37(43-23-27)48-19-13-33(14-20-48)46-38(49)29-4-1-3-28(21-29)31-5-2-15-41-24-31/h2-13,18,23-26,34-35H,14-17,19-22,27H2,1H3,(H,46,50)(H,47,51);2-12,17,22-26,35-36H,13-16,18-21,27H2,1H3,(H,46,51)(H,47,50);2-12,17-18,23-25,27,33-34H,13-16,19-22,26H2,1H3,(H,45,49)(H,46,50);2-11,16-17,22-25,27,34-35H,12-15,18-21,26H2,1H3,(H,45,50)(H,46,49);2*1-11,16-17,22-24,26,31-32H,12-15,18-21,25H2,(H,45,49)(H,46,50);1-10,15-16,21-24,26,32-33H,11-14,17-20,25H2,(H,45,50)(H,46,49).
What are the key properties of 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide?
2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide has a molecular weight of 4763.07 g/mol, XLogP of 42.44, 63 rotatable bonds, 14 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-chloro-3-(6-methyl-3-pyridinyl)-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide;4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 159401994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).