1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one

C14H14F3N3O — CID 81310127

IUPAC1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNc1ncccc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H14F3N3O/c1-2-18-13-10(5-4-8-19-13)9-20-11(14(15,16)17)6-3-7-12(20)21/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyXUCDLYOJRLNUOZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.74
Rot. Bonds4

About 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one

1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310127) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310127
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNc1ncccc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H14F3N3O/c1-2-18-13-10(5-4-8-19-13)9-20-11(14(15,16)17)6-3-7-12(20)21/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyXUCDLYOJRLNUOZ-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310127) is 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one is CCNc1ncccc1Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is XUCDLYOJRLNUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-18-13-10(5-4-8-19-13)9-20-11(14(15,16)17)6-3-7-12(20)21/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 297.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).