5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide

C14H13FN2O2 — CID 175770975

IUPAC5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide
SMILESCC1=C(c2ccc(F)cc2C)C(=O)C(C(N)=O)C=N1
InChIInChI=1S/C14H13FN2O2/c1-7-5-9(15)3-4-10(7)12-8(2)17-6-11(13(12)18)14(16)19/h3-6,11H,1-2H3,(H2,16,19)
InChIKeyWKTIBTSRTFNVIE-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.62
Rot. Bonds2

About 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide

5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide (PubChem CID 175770975) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide
PubChem CID175770975
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide
SMILESCC1=C(c2ccc(F)cc2C)C(=O)C(C(N)=O)C=N1
InChIInChI=1S/C14H13FN2O2/c1-7-5-9(15)3-4-10(7)12-8(2)17-6-11(13(12)18)14(16)19/h3-6,11H,1-2H3,(H2,16,19)
InChIKeyWKTIBTSRTFNVIE-UHFFFAOYSA-N
XLogP1.62
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide (CID 175770975) is 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide is CC1=C(c2ccc(F)cc2C)C(=O)C(C(N)=O)C=N1.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide?
The InChIKey is WKTIBTSRTFNVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-7-5-9(15)3-4-10(7)12-8(2)17-6-11(13(12)18)14(16)19/h3-6,11H,1-2H3,(H2,16,19).
What are the key properties of 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide?
5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 175770975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).