1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C13H17F3N2O3 — CID 47060470

IUPAC1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCOCCn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C13H17F3N2O3/c1-2-3-7-21-8-6-18-10(13(14,15)16)5-4-9(11(17)19)12(18)20/h4-5H,2-3,6-8H2,1H3,(H2,17,19)
InChIKeySBZHAUJSIOOJMC-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.78
Rot. Bonds7

About 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 47060470) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID47060470
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCOCCn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C13H17F3N2O3/c1-2-3-7-21-8-6-18-10(13(14,15)16)5-4-9(11(17)19)12(18)20/h4-5H,2-3,6-8H2,1H3,(H2,17,19)
InChIKeySBZHAUJSIOOJMC-UHFFFAOYSA-N
XLogP1.78
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.78
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-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 47060470) is 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCOCCn1c(C(F)(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SBZHAUJSIOOJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-3-7-21-8-6-18-10(13(14,15)16)5-4-9(11(17)19)12(18)20/h4-5H,2-3,6-8H2,1H3,(H2,17,19).
What are the key properties of 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 47060470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).