5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C14H11BrF2N2O — CID 60729547

IUPAC5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1cncc(Br)c1
InChIInChI=1S/C14H11BrF2N2O/c1-19(8-9-2-3-12(16)13(17)4-9)14(20)10-5-11(15)7-18-6-10/h2-7H,8H2,1H3
InChIKeyYUCDJXZBPAZMTM-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.39
Rot. Bonds3

About 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide

5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 60729547) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID60729547
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1cncc(Br)c1
InChIInChI=1S/C14H11BrF2N2O/c1-19(8-9-2-3-12(16)13(17)4-9)14(20)10-5-11(15)7-18-6-10/h2-7H,8H2,1H3
InChIKeyYUCDJXZBPAZMTM-UHFFFAOYSA-N
XLogP3.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464077
5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 35382217
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 60729547) is 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is YUCDJXZBPAZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-19(8-9-2-3-12(16)13(17)4-9)14(20)10-5-11(15)7-18-6-10/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 341.16 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60729547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).