N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide

C21H22N4O3 — CID 4252590

IUPACN-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide
SMILESCOCCCNC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-14-4-12-23-20(26)15-28-17-8-6-16(7-9-17)21-24-13-10-19(25-21)18-5-2-3-11-22-18/h2-3,5-11,13H,4,12,14-15H2,1H3,(H,23,26)
InChIKeyRMEDNHIIEAJUIE-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.74
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide

N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide (PubChem CID 4252590) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide
PubChem CID4252590
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide
SMILESCOCCCNC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-14-4-12-23-20(26)15-28-17-8-6-16(7-9-17)21-24-13-10-19(25-21)18-5-2-3-11-22-18/h2-3,5-11,13H,4,12,14-15H2,1H3,(H,23,26)
InChIKeyRMEDNHIIEAJUIE-UHFFFAOYSA-N
XLogP2.74
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]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 N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide (CID 4252590) is N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide is COCCCNC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide?
The InChIKey is RMEDNHIIEAJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-14-4-12-23-20(26)15-28-17-8-6-16(7-9-17)21-24-13-10-19(25-21)18-5-2-3-11-22-18/h2-3,5-11,13H,4,12,14-15H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide?
N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 4252590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).