3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

C19H19F3N4O4 — CID 122516813

IUPAC3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
SMILESNCc1cc(Oc2cccc(C(=O)NCCN3CCOC3=O)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O4/c20-19(21,22)15-8-12(11-23)9-16(25-15)30-14-3-1-2-13(10-14)17(27)24-4-5-26-6-7-29-18(26)28/h1-3,8-10H,4-7,11,23H2,(H,24,27)
InChIKeyFVQKGQNSCKJPIJ-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.53
Rot. Bonds7

About 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide (PubChem CID 122516813) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
PubChem CID122516813
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC Name3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
SMILESNCc1cc(Oc2cccc(C(=O)NCCN3CCOC3=O)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O4/c20-19(21,22)15-8-12(11-23)9-16(25-15)30-14-3-1-2-13(10-14)17(27)24-4-5-26-6-7-29-18(26)28/h1-3,8-10H,4-7,11,23H2,(H,24,27)
InChIKeyFVQKGQNSCKJPIJ-UHFFFAOYSA-N
XLogP2.53
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
The IUPAC name of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide (CID 122516813) is 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide is NCc1cc(Oc2cccc(C(=O)NCCN3CCOC3=O)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
The InChIKey is FVQKGQNSCKJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4/c20-19(21,22)15-8-12(11-23)9-16(25-15)30-14-3-1-2-13(10-14)17(27)24-4-5-26-6-7-29-18(26)28/h1-3,8-10H,4-7,11,23H2,(H,24,27).
What are the key properties of 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide has a molecular weight of 424.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 122516813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).