N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide

C14H19N5O3S — CID 126828084

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCc2c(C)n[nH]c2C)cn1
InChIInChI=1S/C14H19N5O3S/c1-9-12(10(2)19-18-9)6-7-16-14(20)11-4-5-13(17-8-11)23(21,22)15-3/h4-5,8,15H,6-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPRCOUGOJFNHXOC-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.30
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (PubChem CID 126828084) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
PubChem CID126828084
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCc2c(C)n[nH]c2C)cn1
InChIInChI=1S/C14H19N5O3S/c1-9-12(10(2)19-18-9)6-7-16-14(20)11-4-5-13(17-8-11)23(21,22)15-3/h4-5,8,15H,6-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPRCOUGOJFNHXOC-UHFFFAOYSA-N
XLogP0.30
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylsulfamoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyridine-3-carboxamide
CID 122153605
3-[[6-(methylsulfamoyl)pyridine-3-carbonyl]amino]propyl thiocyanate
CID 122153228
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72936927
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide
CID 138035987
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
CID 90649604
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide (CID 126828084) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCCc2c(C)n[nH]c2C)cn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
The InChIKey is PRCOUGOJFNHXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-12(10(2)19-18-9)6-7-16-14(20)11-4-5-13(17-8-11)23(21,22)15-3/h4-5,8,15H,6-7H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide is sourced from PubChem (CID 126828084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).