N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide

C14H12BrFN2O — CID 146074922

IUPACN-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-6-12(16)8-17-13(9)14(19)18-7-10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyGDAOPKDBUASHDU-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.22
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide

N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide (PubChem CID 146074922) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide
PubChem CID146074922
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-6-12(16)8-17-13(9)14(19)18-7-10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyGDAOPKDBUASHDU-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

5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridine-2-carboxamide
CID 146074902
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
1-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858215
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide (CID 146074922) is N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide is Cc1cc(F)cnc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide?
The InChIKey is GDAOPKDBUASHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-6-12(16)8-17-13(9)14(19)18-7-10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide?
N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-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 N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 146074922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).