1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

C13H19N5O2S — CID 164631886

IUPAC1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C[C@H]1CCCN1c1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)16-17-13(12(9)7-14)18-6-4-5-11(18)8-21(19,20)15-3/h11,15H,4-6,8H2,1-3H3/t11-/m1/s1
InChIKeyZUMWMKCRIUUVIE-LLVKDONJSA-N
MW309.40 g/mol
LogP0.48
Rot. Bonds4

About 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 164631886) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID164631886
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C[C@H]1CCCN1c1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)16-17-13(12(9)7-14)18-6-4-5-11(18)8-21(19,20)15-3/h11,15H,4-6,8H2,1-3H3/t11-/m1/s1
InChIKeyZUMWMKCRIUUVIE-LLVKDONJSA-N
XLogP0.48
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 164631886) is 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)C[C@H]1CCCN1c1nnc(C)c(C)c1C#N.
What is the InChIKey of 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is ZUMWMKCRIUUVIE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-10(2)16-17-13(12(9)7-14)18-6-4-5-11(18)8-21(19,20)15-3/h11,15H,4-6,8H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 164631886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).