N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

C13H13F3N2O4 — CID 157042420

IUPACN-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cn(C2COCCC2=O)c1=O
InChIInChI=1S/C13H13F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10H,2-3,6H2,1H3,(H,17,19)
InChIKeyMDRCNNSAOCSXLH-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.36
Rot. Bonds2

About N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 157042420) has the molecular formula C13H13F3N2O4 and a molecular weight of 318.25 g/mol. Its IUPAC name is N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID157042420
Molecular FormulaC13H13F3N2O4
Molecular Weight318.25 g/mol
Exact Mass318.08
IUPAC NameN-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cn(C2COCCC2=O)c1=O
InChIInChI=1S/C13H13F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10H,2-3,6H2,1H3,(H,17,19)
InChIKeyMDRCNNSAOCSXLH-UHFFFAOYSA-N
XLogP1.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 157042420) is N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)cn(C2COCCC2=O)c1=O.
What is the InChIKey of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is MDRCNNSAOCSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10H,2-3,6H2,1H3,(H,17,19).
What are the key properties of N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 318.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 157042420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).