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

C15H16N6O3S — CID 129327545

IUPAC6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O
InChIInChI=1S/C15H16N6O3S/c1-20-14(6-7-18-20)21-8-2-3-13(15(21)22)19-25(23,24)12-5-4-11(9-16)17-10-12/h4-7,10,13,19H,2-3,8H2,1H3/t13-/m1/s1
InChIKeyVFHCMTWZUQINJZ-CYBMUJFWSA-N
MW360.40 g/mol
LogP0.16
Rot. Bonds4

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

6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 129327545) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
PubChem CID129327545
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O
InChIInChI=1S/C15H16N6O3S/c1-20-14(6-7-18-20)21-8-2-3-13(15(21)22)19-25(23,24)12-5-4-11(9-16)17-10-12/h4-7,10,13,19H,2-3,8H2,1H3/t13-/m1/s1
InChIKeyVFHCMTWZUQINJZ-CYBMUJFWSA-N
XLogP0.16
TPSA120.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129000207
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-2-sulfonamide
CID 129327661
(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
CID 129002587
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide (CID 129327545) is 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O.
What is the InChIKey of 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is VFHCMTWZUQINJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-20-14(6-7-18-20)21-8-2-3-13(15(21)22)19-25(23,24)12-5-4-11(9-16)17-10-12/h4-7,10,13,19H,2-3,8H2,1H3/t13-/m1/s1.
What are the key properties of 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide?
6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 360.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 129327545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).