1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one

C14H22F3N3O — CID 81309766

IUPAC1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCN(CC)CCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H22F3N3O/c1-3-19(4-2)10-8-18-9-11-20-12(14(15,16)17)6-5-7-13(20)21/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyLFEOIIFWYBKPII-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.80
Rot. Bonds8

About 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81309766) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81309766
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCN(CC)CCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H22F3N3O/c1-3-19(4-2)10-8-18-9-11-20-12(14(15,16)17)6-5-7-13(20)21/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyLFEOIIFWYBKPII-UHFFFAOYSA-N
XLogP1.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81309766) is 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one is CCN(CC)CCNCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is LFEOIIFWYBKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-3-19(4-2)10-8-18-9-11-20-12(14(15,16)17)6-5-7-13(20)21/h5-7,18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 305.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81309766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).