2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

C26H28FN3O3 — CID 11597557

IUPAC2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2N2CCOCC2)cc1
InChIInChI=1S/C26H28FN3O3/c1-2-33-23-9-6-20(7-10-23)24-11-8-22(29-26(24)30-12-14-32-15-13-30)17-25(31)28-18-19-4-3-5-21(27)16-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,28,31)
InChIKeyJLBDIQGQBBFKPZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.98
Rot. Bonds8

About 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 11597557) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID11597557
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2N2CCOCC2)cc1
InChIInChI=1S/C26H28FN3O3/c1-2-33-23-9-6-20(7-10-23)24-11-8-22(29-26(24)30-12-14-32-15-13-30)17-25(31)28-18-19-4-3-5-21(27)16-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,28,31)
InChIKeyJLBDIQGQBBFKPZ-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 11597557) is 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is CCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)nc2N2CCOCC2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is JLBDIQGQBBFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-2-33-23-9-6-20(7-10-23)24-11-8-22(29-26(24)30-12-14-32-15-13-30)17-25(31)28-18-19-4-3-5-21(27)16-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,28,31).
What are the key properties of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.98, 8 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-morpholin-4-yl-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 11597557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).