5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C15H14BrFN2O2 — CID 126648546

IUPAC5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(F)c(CN(C)C(=O)c2cc(Br)c[nH]c2=O)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9-3-4-13(17)10(5-9)8-19(2)15(21)12-6-11(16)7-18-14(12)20/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyOBSQFRXJBGYPIJ-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.86
Rot. Bonds3

About 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126648546) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126648546
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(F)c(CN(C)C(=O)c2cc(Br)c[nH]c2=O)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9-3-4-13(17)10(5-9)8-19(2)15(21)12-6-11(16)7-18-14(12)20/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyOBSQFRXJBGYPIJ-UHFFFAOYSA-N
XLogP2.86
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 126648599
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 55580589
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 2546525
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 126648546) is 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(F)c(CN(C)C(=O)c2cc(Br)c[nH]c2=O)c1.
What is the InChIKey of 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OBSQFRXJBGYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9-3-4-13(17)10(5-9)8-19(2)15(21)12-6-11(16)7-18-14(12)20/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126648546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).