1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one

C14H17F3N2O3 — CID 56865471

IUPAC1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCOC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C14H17F3N2O3/c1-3-19-9(2)4-5-10(13(19)21)12(20)18-6-7-22-11(8-18)14(15,16)17/h4-5,11H,3,6-8H2,1-2H3
InChIKeyDKCNVDFRBDIQCP-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.58
Rot. Bonds2

About 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one

1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one (PubChem CID 56865471) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one
PubChem CID56865471
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCOC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C14H17F3N2O3/c1-3-19-9(2)4-5-10(13(19)21)12(20)18-6-7-22-11(8-18)14(15,16)17/h4-5,11H,3,6-8H2,1-2H3
InChIKeyDKCNVDFRBDIQCP-UHFFFAOYSA-N
XLogP1.58
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one (CID 56865471) is 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one is CCn1c(C)ccc(C(=O)N2CCOC(C(F)(F)F)C2)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
The InChIKey is DKCNVDFRBDIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-3-19-9(2)4-5-10(13(19)21)12(20)18-6-7-22-11(8-18)14(15,16)17/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one has a molecular weight of 318.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one is sourced from PubChem (CID 56865471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).