2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide

C18H20FN3O3 — CID 120799878

IUPAC2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)C1CCOCC1
InChIInChI=1S/C18H20FN3O3/c19-13-1-3-14(4-2-13)25-15-5-6-16(21-11-15)22-18(23)17(20)12-7-9-24-10-8-12/h1-6,11-12,17H,7-10,20H2,(H,21,22,23)
InChIKeyCHSZTOGWRKKCQI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.71
Rot. Bonds5

About 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide

2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799878) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide
PubChem CID120799878
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)C1CCOCC1
InChIInChI=1S/C18H20FN3O3/c19-13-1-3-14(4-2-13)25-15-5-6-16(21-11-15)22-18(23)17(20)12-7-9-24-10-8-12/h1-6,11-12,17H,7-10,20H2,(H,21,22,23)
InChIKeyCHSZTOGWRKKCQI-UHFFFAOYSA-N
XLogP2.71
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide (CID 120799878) is 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide?
The InChIKey is CHSZTOGWRKKCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-1-3-14(4-2-13)25-15-5-6-16(21-11-15)22-18(23)17(20)12-7-9-24-10-8-12/h1-6,11-12,17H,7-10,20H2,(H,21,22,23).
What are the key properties of 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).