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

C16H16F3N3O2 — CID 130356582

IUPAC4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(-c2cccnc2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C16H16F3N3O2/c1-10-9-24-6-5-22(10)11-7-13(21-14(23)8-11)12-3-2-4-20-15(12)16(17,18)19/h2-4,7-8,10H,5-6,9H2,1H3,(H,21,23)
InChIKeyNIYLGOFXXWDGHE-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.68
Rot. Bonds2

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

4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one (PubChem CID 130356582) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one
PubChem CID130356582
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(-c2cccnc2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C16H16F3N3O2/c1-10-9-24-6-5-22(10)11-7-13(21-14(23)8-11)12-3-2-4-20-15(12)16(17,18)19/h2-4,7-8,10H,5-6,9H2,1H3,(H,21,23)
InChIKeyNIYLGOFXXWDGHE-UHFFFAOYSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one (CID 130356582) is 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one is CC1COCCN1c1cc(-c2cccnc2C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one?
The InChIKey is NIYLGOFXXWDGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-9-24-6-5-22(10)11-7-13(21-14(23)8-11)12-3-2-4-20-15(12)16(17,18)19/h2-4,7-8,10H,5-6,9H2,1H3,(H,21,23).
What are the key properties of 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one?
4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)-6-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 130356582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).