1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide

C14H12BrFN2O2 — CID 47449090

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H12BrFN2O2/c1-17-14(20)9-2-5-13(19)18(7-9)8-10-6-11(15)3-4-12(10)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeyGWUMCWHPIGGSQS-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.16
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide

1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 47449090) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID47449090
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H12BrFN2O2/c1-17-14(20)9-2-5-13(19)18(7-9)8-10-6-11(15)3-4-12(10)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeyGWUMCWHPIGGSQS-UHFFFAOYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 47449090) is 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GWUMCWHPIGGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-17-14(20)9-2-5-13(19)18(7-9)8-10-6-11(15)3-4-12(10)16/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 339.16 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47449090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).