N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C17H13BrClFN4O — CID 78784955

IUPACN-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3F)n2)n1
InChIInChI=1S/C17H13BrClFN4O/c1-9-7-10(2)24(23-9)15-6-4-12(19)16(22-15)17(25)21-14-5-3-11(18)8-13(14)20/h3-8H,1-2H3,(H,21,25)
InChIKeyXJKIZYSWOKHPCJ-UHFFFAOYSA-N
MW423.67 g/mol
LogP4.69
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 78784955) has the molecular formula C17H13BrClFN4O and a molecular weight of 423.67 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID78784955
Molecular FormulaC17H13BrClFN4O
Molecular Weight423.67 g/mol
Exact Mass421.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3F)n2)n1
InChIInChI=1S/C17H13BrClFN4O/c1-9-7-10(2)24(23-9)15-6-4-12(19)16(22-15)17(25)21-14-5-3-11(18)8-13(14)20/h3-8H,1-2H3,(H,21,25)
InChIKeyXJKIZYSWOKHPCJ-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.67
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112768774
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
CID 56527757
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
CID 78861473
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 55551117
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112811193
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
CID 112768765
[1-(4-bromoanilino)-1-oxopropan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305150
N-(4-bromo-2-fluorophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90514643
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
CID 2405934

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 78784955) is N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3F)n2)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is XJKIZYSWOKHPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClFN4O/c1-9-7-10(2)24(23-9)15-6-4-12(19)16(22-15)17(25)21-14-5-3-11(18)8-13(14)20/h3-8H,1-2H3,(H,21,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 423.67 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 78784955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).