N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide

C127H132Cl2F3N21O6 — CID 158776296

IUPACN-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5C)CC4)nc3)CC2)ccc(F)c1-c1cccnc1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5C)CC4)cn3)CC2)ccc(F)c1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5C)CC4)cn3)CC2)c(C)c1-c1cccnc1
InChIInChI=1S/C43H46FN7O2.2C42H43ClFN7O2/c1-28-8-10-36(29(2)40(28)32-6-4-18-45-25-32)42(52)49-35-16-22-51(23-17-35)39-13-9-31(24-47-39)27-50-20-14-34(15-21-50)48-43(53)37-11-12-38(44)41(30(37)3)33-7-5-19-46-26-33;1-27-34(8-10-36(43)39(27)30-5-3-17-45-24-30)41(52)49-33-15-21-51(22-16-33)38-12-7-29(23-47-38)26-50-19-13-32(14-20-50)48-42(53)35-9-11-37(44)40(28(35)2)31-6-4-18-46-25-31;1-27-34(8-10-36(43)39(27)30-5-3-17-45-24-30)41(52)48-32-13-19-50(20-14-32)26-29-7-12-38(47-23-29)51-21-15-33(16-22-51)49-42(53)35-9-11-37(44)40(28(35)2)31-6-4-18-46-25-31/h4-13,18-19,24-26,34-35H,14-17,20-23,27H2,1-3H3,(H,48,53)(H,49,52);3-12,17-18,23-25,32-33H,13-16,19-22,26H2,1-2H3,(H,48,53)(H,49,52);3-12,17-18,23-25,32-33H,13-16,19-22,26H2,1-2H3,(H,48,52)(H,49,53)
InChIKeyIQMYPCVQQFSJFW-UHFFFAOYSA-N
MW2176.49 g/mol
LogP21.88
Rot. Bonds27

About N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide

N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide (PubChem CID 158776296) has the molecular formula C127H132Cl2F3N21O6 and a molecular weight of 2176.49 g/mol. Its IUPAC name is N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide
PubChem CID158776296
Molecular FormulaC127H132Cl2F3N21O6
Molecular Weight2176.49 g/mol
Exact Mass2174.00
IUPAC NameN-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5C)CC4)nc3)CC2)ccc(F)c1-c1cccnc1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5C)CC4)cn3)CC2)ccc(F)c1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5C)CC4)cn3)CC2)c(C)c1-c1cccnc1
InChIInChI=1S/C43H46FN7O2.2C42H43ClFN7O2/c1-28-8-10-36(29(2)40(28)32-6-4-18-45-25-32)42(52)49-35-16-22-51(23-17-35)39-13-9-31(24-47-39)27-50-20-14-34(15-21-50)48-43(53)37-11-12-38(44)41(30(37)3)33-7-5-19-46-26-33;1-27-34(8-10-36(43)39(27)30-5-3-17-45-24-30)41(52)49-33-15-21-51(22-16-33)38-12-7-29(23-47-38)26-50-19-13-32(14-20-50)48-42(53)35-9-11-37(44)40(28(35)2)31-6-4-18-46-25-31;1-27-34(8-10-36(43)39(27)30-5-3-17-45-24-30)41(52)48-32-13-19-50(20-14-32)26-29-7-12-38(47-23-29)51-21-15-33(16-22-51)49-42(53)35-9-11-37(44)40(28(35)2)31-6-4-18-46-25-31/h4-13,18-19,24-26,34-35H,14-17,20-23,27H2,1-3H3,(H,48,53)(H,49,52);3-12,17-18,23-25,32-33H,13-16,19-22,26H2,1-2H3,(H,48,53)(H,49,52);3-12,17-18,23-25,32-33H,13-16,19-22,26H2,1-2H3,(H,48,52)(H,49,53)
InChIKeyIQMYPCVQQFSJFW-UHFFFAOYSA-N
XLogP21.88
TPSA310.05 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002176.49
LogP ≤ 521.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide (CID 158776296) is N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide is Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5C)CC4)nc3)CC2)ccc(F)c1-c1cccnc1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5C)CC4)cn3)CC2)ccc(F)c1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5C)CC4)cn3)CC2)c(C)c1-c1cccnc1.
What is the InChIKey of N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide?
The InChIKey is IQMYPCVQQFSJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46FN7O2.2C42H43ClFN7O2/c1-28-8-10-36(29(2)40(28)32-6-4-18-45-25-32)42(52)49-35-16-22-51(23-17-35)39-13-9-31(24-47-39)27-50-20-14-34(15-21-50)48-43(53)37-11-12-38(44)41(30(37)3)33-7-5-19-46-26-33;1-27-34(8-10-36(43)39(27)30-5-3-17-45-24-30)41(52)49-33-15-21-51(22-16-33)38-12-7-29(23-47-38)26-50-19-13-32(14-20-50)48-42(53)35-9-11-37(44)40(28(35)2)31-6-4-18-46-25-31;1-27-34(8-10-36(43)39(27)30-5-3-17-45-24-30)41(52)48-32-13-19-50(20-14-32)26-29-7-12-38(47-23-29)51-21-15-33(16-22-51)49-42(53)35-9-11-37(44)40(28(35)2)31-6-4-18-46-25-31/h4-13,18-19,24-26,34-35H,14-17,20-23,27H2,1-3H3,(H,48,53)(H,49,52);3-12,17-18,23-25,32-33H,13-16,19-22,26H2,1-2H3,(H,48,53)(H,49,52);3-12,17-18,23-25,32-33H,13-16,19-22,26H2,1-2H3,(H,48,52)(H,49,53).
What are the key properties of N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide?
N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide has a molecular weight of 2176.49 g/mol, XLogP of 21.88, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 158776296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).