N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide

C12H13F5N2O2 — CID 59828247

IUPACN-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F5N2O2/c1-3-6(2)18-9(20)7-4-5-8(19-10(7)21)11(13,14)12(15,16)17/h4-6H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAYZYEPJXMAKBGS-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.56
Rot. Bonds4

About N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide

N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 59828247) has the molecular formula C12H13F5N2O2 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID59828247
Molecular FormulaC12H13F5N2O2
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC NameN-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F5N2O2/c1-3-6(2)18-9(20)7-4-5-8(19-10(7)21)11(13,14)12(15,16)17/h4-6H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAYZYEPJXMAKBGS-UHFFFAOYSA-N
XLogP2.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide (CID 59828247) is N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide is CCC(C)NC(=O)c1ccc(C(F)(F)C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AYZYEPJXMAKBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O2/c1-3-6(2)18-9(20)7-4-5-8(19-10(7)21)11(13,14)12(15,16)17/h4-6H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 312.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).