2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

C13H15N5O2S — CID 106546673

IUPAC2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H15N5O2S/c1-3-11-10(9-18(2)17-11)8-16-21(19,20)13-5-4-6-15-12(13)7-14/h4-6,9,16H,3,8H2,1-2H3
InChIKeyUHTCFEDNLJYKBI-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.73
Rot. Bonds5

About 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 106546673) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID106546673
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H15N5O2S/c1-3-11-10(9-18(2)17-11)8-16-21(19,20)13-5-4-6-15-12(13)7-14/h4-6,9,16H,3,8H2,1-2H3
InChIKeyUHTCFEDNLJYKBI-UHFFFAOYSA-N
XLogP0.73
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
2-cyano-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 106545740
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 115990626
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (CID 106546673) is 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is CCc1nn(C)cc1CNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is UHTCFEDNLJYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-3-11-10(9-18(2)17-11)8-16-21(19,20)13-5-4-6-15-12(13)7-14/h4-6,9,16H,3,8H2,1-2H3.
What are the key properties of 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106546673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).