5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide

C14H12BrFN2O — CID 25316377

IUPAC5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(Br)c2)cc1F
InChIInChI=1S/C14H12BrFN2O/c1-9-2-3-10(4-13(9)16)6-18-14(19)11-5-12(15)8-17-7-11/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyXQZIDHKYGCLPLW-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide

5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 25316377) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID25316377
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(Br)c2)cc1F
InChIInChI=1S/C14H12BrFN2O/c1-9-2-3-10(4-13(9)16)6-18-14(19)11-5-12(15)8-17-7-11/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyXQZIDHKYGCLPLW-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
N-[2-[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111846517
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide (CID 25316377) is 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(Br)c2)cc1F.
What is the InChIKey of 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is XQZIDHKYGCLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-2-3-10(4-13(9)16)6-18-14(19)11-5-12(15)8-17-7-11/h2-5,7-8H,6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 25316377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).