5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide

C13H12ClF7N2O2 — CID 59828240

IUPAC5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H12ClF7N2O2/c1-3-23(4-2)10(25)6-5-7(14)8(22-9(6)24)11(15,16)12(17,18)13(19,20)21/h5H,3-4H2,1-2H3,(H,22,24)
InChIKeyQCGZKWNSOUBPGL-UHFFFAOYSA-N
MW396.69 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 59828240) has the molecular formula C13H12ClF7N2O2 and a molecular weight of 396.69 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID59828240
Molecular FormulaC13H12ClF7N2O2
Molecular Weight396.69 g/mol
Exact Mass396.05
IUPAC Name5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H12ClF7N2O2/c1-3-23(4-2)10(25)6-5-7(14)8(22-9(6)24)11(15,16)12(17,18)13(19,20)21/h5H,3-4H2,1-2H3,(H,22,24)
InChIKeyQCGZKWNSOUBPGL-UHFFFAOYSA-N
XLogP3.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.69
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828235
N-Methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828241
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
N-(1-Methylpropyl)-2-oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828247
6-ethyl-N,5-dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 68082881
N-Cyclopropyl-5-ethyl-2-oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 117800444
N-methyl-2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide
CID 145504926
1-Methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide
CID 157299113
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine
CID 158228991
N-[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide
CID 169899925
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
CID 174604397

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide (CID 59828240) is 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide is CCN(CC)C(=O)c1cc(Cl)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QCGZKWNSOUBPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF7N2O2/c1-3-23(4-2)10(25)6-5-7(14)8(22-9(6)24)11(15,16)12(17,18)13(19,20)21/h5H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 396.69 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).