1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C14H21F3N2O2 — CID 81310931

IUPAC1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCOCCCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H21F3N2O2/c1-2-21-11-4-3-8-18-9-10-19-12(14(15,16)17)6-5-7-13(19)20/h5-7,18H,2-4,8-11H2,1H3
InChIKeyLRWKYEVGMQJPGK-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.27
Rot. Bonds9

About 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310931) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310931
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCOCCCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H21F3N2O2/c1-2-21-11-4-3-8-18-9-10-19-12(14(15,16)17)6-5-7-13(19)20/h5-7,18H,2-4,8-11H2,1H3
InChIKeyLRWKYEVGMQJPGK-UHFFFAOYSA-N
XLogP2.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.27
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-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310931) is 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is CCOCCCCNCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is LRWKYEVGMQJPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-2-21-11-4-3-8-18-9-10-19-12(14(15,16)17)6-5-7-13(19)20/h5-7,18H,2-4,8-11H2,1H3.
What are the key properties of 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 306.33 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).