2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

C22H22FN3O2 — CID 171537812

IUPAC2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3cncc(C(C)(C)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C22H22FN3O2/c1-4-14-9-15(5-6-19(14)21(24)27)20-11-17(7-8-26-20)28-18-10-16(12-25-13-18)22(2,3)23/h5-13H,4H2,1-3H3,(H2,24,27)
InChIKeyVWMIDMVSHCOHQL-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.80
Rot. Bonds6

About 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (PubChem CID 171537812) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
PubChem CID171537812
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3cncc(C(C)(C)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C22H22FN3O2/c1-4-14-9-15(5-6-19(14)21(24)27)20-11-17(7-8-26-20)28-18-10-16(12-25-13-18)22(2,3)23/h5-13H,4H2,1-3H3,(H2,24,27)
InChIKeyVWMIDMVSHCOHQL-UHFFFAOYSA-N
XLogP4.80
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The IUPAC name of 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (CID 171537812) is 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The canonical SMILES for 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is CCc1cc(-c2cc(Oc3cncc(C(C)(C)F)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The InChIKey is VWMIDMVSHCOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-4-14-9-15(5-6-19(14)21(24)27)20-11-17(7-8-26-20)28-18-10-16(12-25-13-18)22(2,3)23/h5-13H,4H2,1-3H3,(H2,24,27).
What are the key properties of 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 171537812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).