6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide

C16H18N6O3S — CID 129002559

IUPAC6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(C#N)nc2)C1=O
InChIInChI=1S/C16H18N6O3S/c1-2-22-15(7-8-19-22)21-9-3-4-14(16(21)23)20-26(24,25)13-6-5-12(10-17)18-11-13/h5-8,11,14,20H,2-4,9H2,1H3
InChIKeyASABQIWFAFZRDU-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.64
Rot. Bonds5

About 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide

6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 129002559) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
PubChem CID129002559
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(C#N)nc2)C1=O
InChIInChI=1S/C16H18N6O3S/c1-2-22-15(7-8-19-22)21-9-3-4-14(16(21)23)20-26(24,25)13-6-5-12(10-17)18-11-13/h5-8,11,14,20H,2-4,9H2,1H3
InChIKeyASABQIWFAFZRDU-UHFFFAOYSA-N
XLogP0.64
TPSA120.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (CID 129002559) is 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is CCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(C#N)nc2)C1=O.
What is the InChIKey of 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is ASABQIWFAFZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-2-22-15(7-8-19-22)21-9-3-4-14(16(21)23)20-26(24,25)13-6-5-12(10-17)18-11-13/h5-8,11,14,20H,2-4,9H2,1H3.
What are the key properties of 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 374.43 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 129002559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).