N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C17H17FN4O3 — CID 71785645

IUPACN-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C17H17FN4O3/c18-13-1-3-14(4-2-13)25-8-7-21-16(23)12-10-22(11-12)17(24)15-9-19-5-6-20-15/h1-6,9,12H,7-8,10-11H2,(H,21,23)
InChIKeyHEYUTNLWYJBGQW-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.88
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 71785645) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID71785645
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C17H17FN4O3/c18-13-1-3-14(4-2-13)25-8-7-21-16(23)12-10-22(11-12)17(24)15-9-19-5-6-20-15/h1-6,9,12H,7-8,10-11H2,(H,21,23)
InChIKeyHEYUTNLWYJBGQW-UHFFFAOYSA-N
XLogP0.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 71785645) is N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is O=C(NCCOc1ccc(F)cc1)C1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is HEYUTNLWYJBGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-13-1-3-14(4-2-13)25-8-7-21-16(23)12-10-22(11-12)17(24)15-9-19-5-6-20-15/h1-6,9,12H,7-8,10-11H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).