N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide

C20H17F7N4O3 — CID 171507228

IUPACN-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1c(N2OCNC2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(C)n1
InChIInChI=1S/C20H17F7N4O3/c1-3-30(16-5-4-14(21)10(2)29-16)17(32)8-12-13(20(25,26)27)6-11(19(22,23)24)7-15(12)31-18(33)28-9-34-31/h4-7H,3,8-9H2,1-2H3,(H,28,33)
InChIKeyHDMKPGRDZNETGI-UHFFFAOYSA-N
MW494.37 g/mol
LogP4.58
Rot. Bonds5

About N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide

N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 171507228) has the molecular formula C20H17F7N4O3 and a molecular weight of 494.37 g/mol. Its IUPAC name is N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
PubChem CID171507228
Molecular FormulaC20H17F7N4O3
Molecular Weight494.37 g/mol
Exact Mass494.12
IUPAC NameN-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1c(N2OCNC2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(C)n1
InChIInChI=1S/C20H17F7N4O3/c1-3-30(16-5-4-14(21)10(2)29-16)17(32)8-12-13(20(25,26)27)6-11(19(22,23)24)7-15(12)31-18(33)28-9-34-31/h4-7H,3,8-9H2,1-2H3,(H,28,33)
InChIKeyHDMKPGRDZNETGI-UHFFFAOYSA-N
XLogP4.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide (CID 171507228) is N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide is CCN(C(=O)Cc1c(N2OCNC2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(C)n1.
What is the InChIKey of N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is HDMKPGRDZNETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F7N4O3/c1-3-30(16-5-4-14(21)10(2)29-16)17(32)8-12-13(20(25,26)27)6-11(19(22,23)24)7-15(12)31-18(33)28-9-34-31/h4-7H,3,8-9H2,1-2H3,(H,28,33).
What are the key properties of N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 494.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171507228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).