1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C12H17F3N2O — CID 63280387

IUPAC1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCCNCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O/c1-2-3-6-16-7-8-17-9-10(12(13,14)15)4-5-11(17)18/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyNIJCCLFYTUJNSN-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.26
Rot. Bonds6

About 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280387) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280387
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCCNCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O/c1-2-3-6-16-7-8-17-9-10(12(13,14)15)4-5-11(17)18/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyNIJCCLFYTUJNSN-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280387) is 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is CCCCNCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is NIJCCLFYTUJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-3-6-16-7-8-17-9-10(12(13,14)15)4-5-11(17)18/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).