6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C31H36F2N4O3 — CID 123228129

IUPAC6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(CN4CCC(Oc5ccc(F)cc5F)CC4)nc3)CC2)cc1
InChIInChI=1S/C31H36F2N4O3/c1-39-27-7-2-22(3-8-27)20-36-14-10-25(11-15-36)35-31(38)23-4-6-26(34-19-23)21-37-16-12-28(13-17-37)40-30-9-5-24(32)18-29(30)33/h2-9,18-19,25,28H,10-17,20-21H2,1H3,(H,35,38)
InChIKeyGDTPMJFDCNMYPM-UHFFFAOYSA-N
MW550.65 g/mol
LogP4.81
Rot. Bonds9

About 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 123228129) has the molecular formula C31H36F2N4O3 and a molecular weight of 550.65 g/mol. Its IUPAC name is 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID123228129
Molecular FormulaC31H36F2N4O3
Molecular Weight550.65 g/mol
Exact Mass550.28
IUPAC Name6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(CN4CCC(Oc5ccc(F)cc5F)CC4)nc3)CC2)cc1
InChIInChI=1S/C31H36F2N4O3/c1-39-27-7-2-22(3-8-27)20-36-14-10-25(11-15-36)35-31(38)23-4-6-26(34-19-23)21-37-16-12-28(13-17-37)40-30-9-5-24(32)18-29(30)33/h2-9,18-19,25,28H,10-17,20-21H2,1H3,(H,35,38)
InChIKeyGDTPMJFDCNMYPM-UHFFFAOYSA-N
XLogP4.81
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.65
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Ondelopran
CID 10457387
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
4-[(4-Methylpiperazin-1-Yl)methyl]-N-(4-Methyl-3-{[1-(Pyridin-3-Ylcarbonyl)piperidin-4-Yl]oxy}phenyl)-3-(Trifluoromethyl)benzamide
CID 121232411
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenoxypyridine-3-carboxamide
CID 9870203
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 20646995
6-cyano-N-[(3R)-3-[4-[4-(2-methoxyethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 44511871
6-Fluoro-n-((r)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide
CID 44511934
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
example 31 [WO2018183145]
CID 135349311

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 123228129) is 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(CN4CCC(Oc5ccc(F)cc5F)CC4)nc3)CC2)cc1.
What is the InChIKey of 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GDTPMJFDCNMYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2N4O3/c1-39-27-7-2-22(3-8-27)20-36-14-10-25(11-15-36)35-31(38)23-4-6-26(34-19-23)21-37-16-12-28(13-17-37)40-30-9-5-24(32)18-29(30)33/h2-9,18-19,25,28H,10-17,20-21H2,1H3,(H,35,38).
What are the key properties of 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 550.65 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 123228129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).