6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide

C12H11F7N2O2 — CID 59828242

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F7N2O2/c1-2-5-20-8(22)6-3-4-7(21-9(6)23)10(13,14)11(15,16)12(17,18)19/h3-4H,2,5H2,1H3,(H,20,22)(H,21,23)
InChIKeyFRKXMHZZEYHCGZ-UHFFFAOYSA-N
MW348.22 g/mol
LogP2.80
Rot. Bonds5

About 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide

6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide (PubChem CID 59828242) has the molecular formula C12H11F7N2O2 and a molecular weight of 348.22 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
PubChem CID59828242
Molecular FormulaC12H11F7N2O2
Molecular Weight348.22 g/mol
Exact Mass348.07
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F7N2O2/c1-2-5-20-8(22)6-3-4-7(21-9(6)23)10(13,14)11(15,16)12(17,18)19/h3-4H,2,5H2,1H3,(H,20,22)(H,21,23)
InChIKeyFRKXMHZZEYHCGZ-UHFFFAOYSA-N
XLogP2.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide (CID 59828242) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide is CCCNC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The InChIKey is FRKXMHZZEYHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F7N2O2/c1-2-5-20-8(22)6-3-4-7(21-9(6)23)10(13,14)11(15,16)12(17,18)19/h3-4H,2,5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide has a molecular weight of 348.22 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).