N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide

C15H16N2O3 — CID 27173434

IUPACN-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-13-2-4-14(5-3-13)20-11-10-17-15(18)12-6-8-16-9-7-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyXIJKHQTXLLADLX-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (PubChem CID 27173434) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
PubChem CID27173434
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-13-2-4-14(5-3-13)20-11-10-17-15(18)12-6-8-16-9-7-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyXIJKHQTXLLADLX-UHFFFAOYSA-N
XLogP1.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-(4-methylphenoxy)ethyl]-4-(pyridin-4-ylamino)benzamide
CID 166210170
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (CID 27173434) is N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is COc1ccc(OCCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is XIJKHQTXLLADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-2-4-14(5-3-13)20-11-10-17-15(18)12-6-8-16-9-7-12/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 27173434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).