N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide

C16H15BrF2N2O2S — CID 24544420

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cccnc1SC(F)F
InChIInChI=1S/C16H15BrF2N2O2S/c1-21(9-10-8-11(17)5-6-13(10)23-2)15(22)12-4-3-7-20-14(12)24-16(18)19/h3-8,16H,9H2,1-2H3
InChIKeyUNEZRCUIKJSQFN-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.44
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide (PubChem CID 24544420) has the molecular formula C16H15BrF2N2O2S and a molecular weight of 417.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
PubChem CID24544420
Molecular FormulaC16H15BrF2N2O2S
Molecular Weight417.28 g/mol
Exact Mass416.00
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cccnc1SC(F)F
InChIInChI=1S/C16H15BrF2N2O2S/c1-21(9-10-8-11(17)5-6-13(10)23-2)15(22)12-4-3-7-20-14(12)24-16(18)19/h3-8,16H,9H2,1-2H3
InChIKeyUNEZRCUIKJSQFN-UHFFFAOYSA-N
XLogP4.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 55380693
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 4786419
2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55548799
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18111604
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 55579968
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160430
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide (CID 24544420) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)c1cccnc1SC(F)F.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
The InChIKey is UNEZRCUIKJSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N2O2S/c1-21(9-10-8-11(17)5-6-13(10)23-2)15(22)12-4-3-7-20-14(12)24-16(18)19/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide has a molecular weight of 417.28 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 24544420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).