N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C19H21N5O4S — CID 25470960

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C19H21N5O4S/c1-3-23(4-2)29(27,28)15-7-8-17(25)16(12-15)22-19(26)14-6-9-18(20-13-14)24-11-5-10-21-24/h5-13,25H,3-4H2,1-2H3,(H,22,26)
InChIKeyGZUPTNUYXAXLNB-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.26
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 25470960) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID25470960
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C19H21N5O4S/c1-3-23(4-2)29(27,28)15-7-8-17(25)16(12-15)22-19(26)14-6-9-18(20-13-14)24-11-5-10-21-24/h5-13,25H,3-4H2,1-2H3,(H,22,26)
InChIKeyGZUPTNUYXAXLNB-UHFFFAOYSA-N
XLogP2.26
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
CID 25442987
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24564260
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538679
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 25332105
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581387
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035073
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 25470960) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is GZUPTNUYXAXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-3-23(4-2)29(27,28)15-7-8-17(25)16(12-15)22-19(26)14-6-9-18(20-13-14)24-11-5-10-21-24/h5-13,25H,3-4H2,1-2H3,(H,22,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 25470960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).