2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

C29H34FN3O3 — CID 11569439

IUPAC2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2OCCN2CCCCC2)cc1
InChIInChI=1S/C29H34FN3O3/c1-2-35-26-12-9-23(10-13-26)27-14-11-25(20-28(34)31-21-22-7-6-8-24(30)19-22)32-29(27)36-18-17-33-15-4-3-5-16-33/h6-14,19H,2-5,15-18,20-21H2,1H3,(H,31,34)
InChIKeyDVBNPWPOFYVCHR-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.01
Rot. Bonds11

About 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 11569439) has the molecular formula C29H34FN3O3 and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID11569439
Molecular FormulaC29H34FN3O3
Molecular Weight491.61 g/mol
Exact Mass491.26
IUPAC Name2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2OCCN2CCCCC2)cc1
InChIInChI=1S/C29H34FN3O3/c1-2-35-26-12-9-23(10-13-26)27-14-11-25(20-28(34)31-21-22-7-6-8-24(30)19-22)32-29(27)36-18-17-33-15-4-3-5-16-33/h6-14,19H,2-5,15-18,20-21H2,1H3,(H,31,34)
InChIKeyDVBNPWPOFYVCHR-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)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 11569439) is 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is CCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2OCCN2CCCCC2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is DVBNPWPOFYVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O3/c1-2-35-26-12-9-23(10-13-26)27-14-11-25(20-28(34)31-21-22-7-6-8-24(30)19-22)32-29(27)36-18-17-33-15-4-3-5-16-33/h6-14,19H,2-5,15-18,20-21H2,1H3,(H,31,34).
What are the key properties of 2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[5-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)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)-6-(2-piperidin-1-ylethoxy)-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 11569439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).