[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H14N4O3S — CID 168681535

IUPAC[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1nc(N2CC(CS(N)(=O)=O)CC2=O)ccc1C#N
InChIInChI=1S/C12H14N4O3S/c1-8-10(5-13)2-3-11(15-8)16-6-9(4-12(16)17)7-20(14,18)19/h2-3,9H,4,6-7H2,1H3,(H2,14,18,19)
InChIKeyVKYYSNUFZBTOHE-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.10
Rot. Bonds3

About [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681535) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681535
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1nc(N2CC(CS(N)(=O)=O)CC2=O)ccc1C#N
InChIInChI=1S/C12H14N4O3S/c1-8-10(5-13)2-3-11(15-8)16-6-9(4-12(16)17)7-20(14,18)19/h2-3,9H,4,6-7H2,1H3,(H2,14,18,19)
InChIKeyVKYYSNUFZBTOHE-UHFFFAOYSA-N
XLogP-0.10
TPSA117.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534
[1-(2-cyano-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681429
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
[1-(2-cyano-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681150
[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682613
[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682382
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682878
[1-(2-cyano-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682694
[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681764
[1-(2-cyano-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681142
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681535) is [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1nc(N2CC(CS(N)(=O)=O)CC2=O)ccc1C#N.
What is the InChIKey of [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VKYYSNUFZBTOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-10(5-13)2-3-11(15-8)16-6-9(4-12(16)17)7-20(14,18)19/h2-3,9H,4,6-7H2,1H3,(H2,14,18,19).
What are the key properties of [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 294.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).