1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide

C14H13FN2O2 — CID 685930

IUPAC1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(F)c2)c(=O)c1C(N)=O
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2)17(14(19)12(8)13(16)18)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,18)
InChIKeyMCFFGTBRPJOBED-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.69
Rot. Bonds2

About 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide

1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 685930) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID685930
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(F)c2)c(=O)c1C(N)=O
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2)17(14(19)12(8)13(16)18)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,18)
InChIKeyMCFFGTBRPJOBED-UHFFFAOYSA-N
XLogP1.69
TPSA65.09 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 685930) is 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(-c2cccc(F)c2)c(=O)c1C(N)=O.
What is the InChIKey of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is MCFFGTBRPJOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-6-9(2)17(14(19)12(8)13(16)18)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 685930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).