5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C7H7BrN2O2 — CID 126648826

IUPAC5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H7BrN2O2/c1-9-6(11)5-2-4(8)3-10-7(5)12/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyFHTDCNHRDHDKND-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.50
Rot. Bonds1

About 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126648826) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126648826
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H7BrN2O2/c1-9-6(11)5-2-4(8)3-10-7(5)12/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyFHTDCNHRDHDKND-UHFFFAOYSA-N
XLogP0.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 126648826) is 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FHTDCNHRDHDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-9-6(11)5-2-4(8)3-10-7(5)12/h2-3H,1H3,(H,9,11)(H,10,12).
What are the key properties of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 231.05 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126648826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).