2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H9F3N2O2 — CID 47017382

IUPAC2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H9F3N2O2/c1-2-5-14-8(16)6-3-4-7(10(11,12)13)15-9(6)17/h2-4H,1,5H2,(H,14,16)(H,15,17)
InChIKeyHZVASRLZYDJCLJ-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.31
Rot. Bonds3

About 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 47017382) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID47017382
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H9F3N2O2/c1-2-5-14-8(16)6-3-4-7(10(11,12)13)15-9(6)17/h2-4H,1,5H2,(H,14,16)(H,15,17)
InChIKeyHZVASRLZYDJCLJ-UHFFFAOYSA-N
XLogP1.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 47017382) is 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HZVASRLZYDJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-2-5-14-8(16)6-3-4-7(10(11,12)13)15-9(6)17/h2-4H,1,5H2,(H,14,16)(H,15,17).
What are the key properties of 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 246.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47017382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).