N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide

C15H16N4O3 — CID 121478709

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H16N4O3/c1-22-12-4-2-11(3-5-12)6-7-18-14(20)15(21)19-13-10-16-8-9-17-13/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyNJIJTTASOAVMBP-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.78
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide (PubChem CID 121478709) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide
PubChem CID121478709
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H16N4O3/c1-22-12-4-2-11(3-5-12)6-7-18-14(20)15(21)19-13-10-16-8-9-17-13/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyNJIJTTASOAVMBP-UHFFFAOYSA-N
XLogP0.78
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide (CID 121478709) is N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide is COc1ccc(CCNC(=O)C(=O)Nc2cnccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide?
The InChIKey is NJIJTTASOAVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-12-4-2-11(3-5-12)6-7-18-14(20)15(21)19-13-10-16-8-9-17-13/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide has a molecular weight of 300.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-pyrazin-2-yloxamide is sourced from PubChem (CID 121478709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).