tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate

C17H19FN2O2 — CID 68536722

IUPACtert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C17H19FN2O2/c1-17(2,3)22-16(21)11-19-14-8-9-15(20-10-14)12-4-6-13(18)7-5-12/h4-10,19H,11H2,1-3H3
InChIKeyPYQOOYBKXXZTJW-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate

tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate (PubChem CID 68536722) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate
PubChem CID68536722
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Nametert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C17H19FN2O2/c1-17(2,3)22-16(21)11-19-14-8-9-15(20-10-14)12-4-6-13(18)7-5-12/h4-10,19H,11H2,1-3H3
InChIKeyPYQOOYBKXXZTJW-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate (CID 68536722) is tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate is CC(C)(C)OC(=O)CNc1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate?
The InChIKey is PYQOOYBKXXZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(2,3)22-16(21)11-19-14-8-9-15(20-10-14)12-4-6-13(18)7-5-12/h4-10,19H,11H2,1-3H3.
What are the key properties of tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate?
tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate has a molecular weight of 302.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]amino]acetate is sourced from PubChem (CID 68536722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).