N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C20H24ClN3O2 — CID 74240297

IUPACN-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(Cl)c1OCCNC(=O)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H24ClN3O2/c1-15-6-4-8-17(21)19(15)26-13-10-23-20(25)18(24-11-2-3-12-24)16-7-5-9-22-14-16/h4-9,14,18H,2-3,10-13H2,1H3,(H,23,25)
InChIKeyXMYMKDSMKUXAPO-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 74240297) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID74240297
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(Cl)c1OCCNC(=O)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H24ClN3O2/c1-15-6-4-8-17(21)19(15)26-13-10-23-20(25)18(24-11-2-3-12-24)16-7-5-9-22-14-16/h4-9,14,18H,2-3,10-13H2,1H3,(H,23,25)
InChIKeyXMYMKDSMKUXAPO-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide 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-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 74240297) is N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is Cc1cccc(Cl)c1OCCNC(=O)C(c1cccnc1)N1CCCC1.
What is the InChIKey of N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is XMYMKDSMKUXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15-6-4-8-17(21)19(15)26-13-10-23-20(25)18(24-11-2-3-12-24)16-7-5-9-22-14-16/h4-9,14,18H,2-3,10-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 373.88 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 74240297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).