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

C41H42FN7O2 — CID 118154790

IUPACN-[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(F)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1
InChIInChI=1S/C41H42FN7O2/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/h2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51)
InChIKeyDFASUDOQRIIKAI-UHFFFAOYSA-N
MW683.83 g/mol
LogP6.45
Rot. Bonds9

About 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-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide (PubChem CID 118154790) has the molecular formula C41H42FN7O2 and a molecular weight of 683.83 g/mol. Its IUPAC name is 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-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
PubChem CID118154790
Molecular FormulaC41H42FN7O2
Molecular Weight683.83 g/mol
Exact Mass683.34
IUPAC NameN-[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(F)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1
InChIInChI=1S/C41H42FN7O2/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/h2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51)
InChIKeyDFASUDOQRIIKAI-UHFFFAOYSA-N
XLogP6.45
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.83
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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-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-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide (CID 118154790) is 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-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-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(F)c(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1cccnc1.
What is the InChIKey of 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 DFASUDOQRIIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42FN7O2/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/h2-11,16-17,22-26,34-35H,12-15,18-21,27H2,1H3,(H,46,50)(H,47,51).
What are the key properties of N-[1-[[6-[4-[(4-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-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 683.83 g/mol, XLogP of 6.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 118154790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).