2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide

C20H21F3N2O3 — CID 126820035

IUPAC2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide
SMILESCc1ccncc1CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1
InChIInChI=1S/C20H21F3N2O3/c1-14-5-8-24-13-15(14)11-18(26)25-19(6-9-27-10-7-19)16-3-2-4-17(12-16)28-20(21,22)23/h2-5,8,12-13H,6-7,9-11H2,1H3,(H,25,26)
InChIKeyCGFUGQJVHQYVNL-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide

2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide (PubChem CID 126820035) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide
PubChem CID126820035
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide
SMILESCc1ccncc1CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1
InChIInChI=1S/C20H21F3N2O3/c1-14-5-8-24-13-15(14)11-18(26)25-19(6-9-27-10-7-19)16-3-2-4-17(12-16)28-20(21,22)23/h2-5,8,12-13H,6-7,9-11H2,1H3,(H,25,26)
InChIKeyCGFUGQJVHQYVNL-UHFFFAOYSA-N
XLogP3.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide (CID 126820035) is 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide is Cc1ccncc1CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide?
The InChIKey is CGFUGQJVHQYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-14-5-8-24-13-15(14)11-18(26)25-19(6-9-27-10-7-19)16-3-2-4-17(12-16)28-20(21,22)23/h2-5,8,12-13H,6-7,9-11H2,1H3,(H,25,26).
What are the key properties of 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide?
2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 126820035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).