2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide

C26H26BrFN2O6 — CID 159193603

IUPAC2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O
InChIInChI=1S/C26H26BrFN2O6/c1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16/h4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32)
InChIKeyXHBLHRVQGSLIFV-UHFFFAOYSA-N
MW561.40 g/mol
LogP4.40
Rot. Bonds11

About 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide

2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide (PubChem CID 159193603) has the molecular formula C26H26BrFN2O6 and a molecular weight of 561.40 g/mol. Its IUPAC name is 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
PubChem CID159193603
Molecular FormulaC26H26BrFN2O6
Molecular Weight561.40 g/mol
Exact Mass560.10
IUPAC Name2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O
InChIInChI=1S/C26H26BrFN2O6/c1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16/h4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32)
InChIKeyXHBLHRVQGSLIFV-UHFFFAOYSA-N
XLogP4.40
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide 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

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(2-oxopropoxy)benzamide
CID 122503195
N-[2-(6-bromo-5-fluoro-2-pyridinyl)-2-hydroxyethyl]-3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzamide
CID 90061686
N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061849
N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]-4-(2-fluoroethoxy)-3-methoxybenzamide
CID 117924259
N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzamide
CID 117924434
N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 117924435
4-(2-amino-2-oxoethoxy)-N-[2-(6-bromo-5-methoxypyridin-2-yl)-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 117924624
4-(2-amino-2-oxoethoxy)-N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]-3-methoxybenzamide
CID 117924663
N-[2-[4-(2-aminopropan-2-yl)-6-(3-bromo-4-fluorophenyl)pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 117924705
4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]-3-methoxybenzamide
CID 117924730
4-(2,2-difluoroethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-5-methoxypyridin-2-yl]-2-hydroxypropyl]benzamide
CID 117924737
4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-5-methoxypyridin-2-yl]-2-hydroxypropyl]benzamide
CID 117924778

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide (CID 159193603) is 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
The InChIKey is XHBLHRVQGSLIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrFN2O6/c1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16/h4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32).
What are the key properties of 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?
2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide has a molecular weight of 561.40 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 159193603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).