3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide

C8H9FN2O2 — CID 171516278

IUPAC3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C)[nH]c(=O)c1F
InChIInChI=1S/C8H9FN2O2/c1-4-3-5(7(12)10-2)6(9)8(13)11-4/h3H,1-2H3,(H,10,12)(H,11,13)
InChIKeyQAYDIFMHLNNDCJ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.18
Rot. Bonds1

About 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide

3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 171516278) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide
PubChem CID171516278
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C)[nH]c(=O)c1F
InChIInChI=1S/C8H9FN2O2/c1-4-3-5(7(12)10-2)6(9)8(13)11-4/h3H,1-2H3,(H,10,12)(H,11,13)
InChIKeyQAYDIFMHLNNDCJ-UHFFFAOYSA-N
XLogP0.18
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide (CID 171516278) is 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide is CNC(=O)c1cc(C)[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is QAYDIFMHLNNDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-4-3-5(7(12)10-2)6(9)8(13)11-4/h3H,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide?
3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 184.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,6-dimethyl-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 171516278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).