N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C15H21F3N2O2 — CID 102494175

IUPACN,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cn(CCCC)c(C(F)(F)F)cc1=O
InChIInChI=1S/C15H21F3N2O2/c1-3-5-7-19-14(22)11-10-20(8-6-4-2)13(9-12(11)21)15(16,17)18/h9-10H,3-8H2,1-2H3,(H,19,22)
InChIKeyBWYNCWLFGMLFGU-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.20
Rot. Bonds7

About N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 102494175) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID102494175
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cn(CCCC)c(C(F)(F)F)cc1=O
InChIInChI=1S/C15H21F3N2O2/c1-3-5-7-19-14(22)11-10-20(8-6-4-2)13(9-12(11)21)15(16,17)18/h9-10H,3-8H2,1-2H3,(H,19,22)
InChIKeyBWYNCWLFGMLFGU-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.20
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 N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 102494175) is N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCNC(=O)c1cn(CCCC)c(C(F)(F)F)cc1=O.
What is the InChIKey of N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BWYNCWLFGMLFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-5-7-19-14(22)11-10-20(8-6-4-2)13(9-12(11)21)15(16,17)18/h9-10H,3-8H2,1-2H3,(H,19,22).
What are the key properties of N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 102494175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).