3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide

C17H15ClFN5O3S — CID 56527757

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C17H15ClFN5O3S/c1-9-5-10(2)24(23-9)15-4-3-14(18)16(22-15)17(25)21-12-6-11(19)7-13(8-12)28(20,26)27/h3-8H,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyNZHUIRXMQSOEMW-UHFFFAOYSA-N
MW423.86 g/mol
LogP2.58
Rot. Bonds4

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide (PubChem CID 56527757) has the molecular formula C17H15ClFN5O3S and a molecular weight of 423.86 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
PubChem CID56527757
Molecular FormulaC17H15ClFN5O3S
Molecular Weight423.86 g/mol
Exact Mass423.06
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C17H15ClFN5O3S/c1-9-5-10(2)24(23-9)15-4-3-14(18)16(22-15)17(25)21-12-6-11(19)7-13(8-12)28(20,26)27/h3-8H,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyNZHUIRXMQSOEMW-UHFFFAOYSA-N
XLogP2.58
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
CID 78861473
3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 3926647
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55419689
N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784955
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 119438318
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-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
CID 112768765
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide
CID 55408607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide (CID 56527757) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide?
The InChIKey is NZHUIRXMQSOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O3S/c1-9-5-10(2)24(23-9)15-4-3-14(18)16(22-15)17(25)21-12-6-11(19)7-13(8-12)28(20,26)27/h3-8H,1-2H3,(H,21,25)(H2,20,26,27).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide has a molecular weight of 423.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 56527757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).