2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide

C29H34FN3O3 — CID 11504134

IUPAC2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCCN4CCCCC4)c3)nc2)cc1
InChIInChI=1S/C29H34FN3O3/c1-2-35-27-10-7-23(8-11-27)24-6-9-26(31-21-24)19-29(34)32-20-22-16-25(30)18-28(17-22)36-15-14-33-12-4-3-5-13-33/h6-11,16-18,21H,2-5,12-15,19-20H2,1H3,(H,32,34)
InChIKeyTYIQBKXRMDICGB-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.01
Rot. Bonds11

About 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide

2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide (PubChem CID 11504134) has the molecular formula C29H34FN3O3 and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
PubChem CID11504134
Molecular FormulaC29H34FN3O3
Molecular Weight491.61 g/mol
Exact Mass491.26
IUPAC Name2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCCN4CCCCC4)c3)nc2)cc1
InChIInChI=1S/C29H34FN3O3/c1-2-35-27-10-7-23(8-11-27)24-6-9-26(31-21-24)19-29(34)32-20-22-16-25(30)18-28(17-22)36-15-14-33-12-4-3-5-13-33/h6-11,16-18,21H,2-5,12-15,19-20H2,1H3,(H,32,34)
InChIKeyTYIQBKXRMDICGB-UHFFFAOYSA-N
XLogP5.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
CID 59000676
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 59000696
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane
CID 145496383
2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
CID 143708334
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 155925939
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;phenylmethanamine
CID 158207902

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide (CID 11504134) is 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide is CCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCCN4CCCCC4)c3)nc2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide?
The InChIKey is TYIQBKXRMDICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O3/c1-2-35-27-10-7-23(8-11-27)24-6-9-26(31-21-24)19-29(34)32-20-22-16-25(30)18-28(17-22)36-15-14-33-12-4-3-5-13-33/h6-11,16-18,21H,2-5,12-15,19-20H2,1H3,(H,32,34).
What are the key properties of 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide?
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide has a molecular weight of 491.61 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 11504134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).