4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one

C15H20F3N3O3 — CID 130359931

IUPAC4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(N2CCOCC2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C15H20F3N3O3/c1-10-8-23-4-2-20(10)11-6-13(19-14(22)7-11)21-3-5-24-9-12(21)15(16,17)18/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyHMQUAFQWSSAWFO-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.37
Rot. Bonds2

About 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one

4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one (PubChem CID 130359931) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one
PubChem CID130359931
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(N2CCOCC2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C15H20F3N3O3/c1-10-8-23-4-2-20(10)11-6-13(19-14(22)7-11)21-3-5-24-9-12(21)15(16,17)18/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyHMQUAFQWSSAWFO-UHFFFAOYSA-N
XLogP1.37
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one (CID 130359931) is 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one is CC1COCCN1c1cc(N2CCOCC2C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one?
The InChIKey is HMQUAFQWSSAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-10-8-23-4-2-20(10)11-6-13(19-14(22)7-11)21-3-5-24-9-12(21)15(16,17)18/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one?
4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one has a molecular weight of 347.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)-6-[3-(trifluoromethyl)morpholin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 130359931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).