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

C123H126ClF2N21O6 — CID 158057261

IUPACN-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5)CC4)cn3)CC2)cc1-c1cccnc1
InChIInChI=1S/C41H42ClN7O2.2C41H42FN7O2/c1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)46-34-12-18-48(19-13-34)27-29-7-11-39(45-24-29)49-20-14-35(15-21-49)47-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33;1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)47-35-14-20-49(21-15-35)39-11-7-29(24-45-39)27-48-18-12-34(13-19-48)46-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33;1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)46-34-12-18-48(19-13-34)27-29-7-11-39(45-24-29)49-20-14-35(15-21-49)47-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33/h2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51);2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,51)(H,47,50);2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51)
InChIKeyFKFBKMGKGAIVKL-UHFFFAOYSA-N
MW2067.95 g/mol
LogP19.85
Rot. Bonds27

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

N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide (PubChem CID 158057261) has the molecular formula C123H126ClF2N21O6 and a molecular weight of 2067.95 g/mol. Its IUPAC name is N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
PubChem CID158057261
Molecular FormulaC123H126ClF2N21O6
Molecular Weight2067.95 g/mol
Exact Mass2065.99
IUPAC NameN-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5)CC4)cn3)CC2)cc1-c1cccnc1
InChIInChI=1S/C41H42ClN7O2.2C41H42FN7O2/c1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)46-34-12-18-48(19-13-34)27-29-7-11-39(45-24-29)49-20-14-35(15-21-49)47-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33;1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)47-35-14-20-49(21-15-35)39-11-7-29(24-45-39)27-48-18-12-34(13-19-48)46-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33;1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)46-34-12-18-48(19-13-34)27-29-7-11-39(45-24-29)49-20-14-35(15-21-49)47-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33/h2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51);2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,51)(H,47,50);2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51)
InChIKeyFKFBKMGKGAIVKL-UHFFFAOYSA-N
XLogP19.85
TPSA310.05 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.95
LogP ≤ 519.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide (CID 158057261) is N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide is Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(Cl)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CCC(NC(=O)c5ccc(F)c(-c6cccnc6)c5)CC4)cn3)CC2)cc1-c1cccnc1.
What is the InChIKey of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
The InChIKey is FKFBKMGKGAIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42ClN7O2.2C41H42FN7O2/c1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)46-34-12-18-48(19-13-34)27-29-7-11-39(45-24-29)49-20-14-35(15-21-49)47-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33;1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)47-35-14-20-49(21-15-35)39-11-7-29(24-45-39)27-48-18-12-34(13-19-48)46-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33;1-28-6-8-30(22-36(28)32-4-2-16-43-25-32)40(50)46-34-12-18-48(19-13-34)27-29-7-11-39(45-24-29)49-20-14-35(15-21-49)47-41(51)31-9-10-38(42)37(23-31)33-5-3-17-44-26-33/h2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51);2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,51)(H,47,50);2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51).
What are the key properties of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide has a molecular weight of 2067.95 g/mol, XLogP of 19.85, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 158057261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).