2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

C25H26FN3O2 — CID 58450470

IUPAC2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cn2)c1
InChIInChI=1S/C25H26FN3O2/c1-18-3-2-4-19(13-18)16-28-25(30)14-21-6-5-20(17-27-21)23-8-7-22(15-24(23)26)29-9-11-31-12-10-29/h2-8,13,15,17H,9-12,14,16H2,1H3,(H,28,30)
InChIKeyIJRCURLPJZBVPU-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.89
Rot. Bonds6

About 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 58450470) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID58450470
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cn2)c1
InChIInChI=1S/C25H26FN3O2/c1-18-3-2-4-19(13-18)16-28-25(30)14-21-6-5-20(17-27-21)23-8-7-22(15-24(23)26)29-9-11-31-12-10-29/h2-8,13,15,17H,9-12,14,16H2,1H3,(H,28,30)
InChIKeyIJRCURLPJZBVPU-UHFFFAOYSA-N
XLogP3.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)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-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (CID 58450470) is 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cn2)c1.
What is the InChIKey of 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is IJRCURLPJZBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-18-3-2-4-19(13-18)16-28-25(30)14-21-6-5-20(17-27-21)23-8-7-22(15-24(23)26)29-9-11-31-12-10-29/h2-8,13,15,17H,9-12,14,16H2,1H3,(H,28,30).
What are the key properties of 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 58450470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).