5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C15H11BrFN3O — CID 35382217

IUPAC5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)c1cncc(Br)c1
InChIInChI=1S/C15H11BrFN3O/c1-20(15(21)11-5-13(16)8-19-7-11)9-12-4-10(6-18)2-3-14(12)17/h2-5,7-8H,9H2,1H3
InChIKeyJYOWERZCNZTKGR-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 35382217) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID35382217
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)c1cncc(Br)c1
InChIInChI=1S/C15H11BrFN3O/c1-20(15(21)11-5-13(16)8-19-7-11)9-12-4-10(6-18)2-3-14(12)17/h2-5,7-8H,9H2,1H3
InChIKeyJYOWERZCNZTKGR-UHFFFAOYSA-N
XLogP3.13
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
CID 60959792
3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61107144
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbut-2-enamide
CID 112727359
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyano-N-methylbutanamide
CID 115188370
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
CID 60945520
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 35382217) is 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1cc(C#N)ccc1F)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is JYOWERZCNZTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-20(15(21)11-5-13(16)8-19-7-11)9-12-4-10(6-18)2-3-14(12)17/h2-5,7-8H,9H2,1H3.
What are the key properties of 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 348.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 35382217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).