N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide

C17H19FN4O4S — CID 58778164

IUPACN-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ccc(-n3ccncc3=O)cc2F)C1=O)S(C)(=O)=O
InChIInChI=1S/C17H19FN4O4S/c1-20(27(2,25)26)15-4-3-8-22(17(15)24)14-6-5-12(10-13(14)18)21-9-7-19-11-16(21)23/h5-7,9-11,15H,3-4,8H2,1-2H3
InChIKeyAXVXNOHRUOYFLM-UHFFFAOYSA-N
MW394.43 g/mol
LogP0.76
Rot. Bonds4

About N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide

N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 58778164) has the molecular formula C17H19FN4O4S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
PubChem CID58778164
Molecular FormulaC17H19FN4O4S
Molecular Weight394.43 g/mol
Exact Mass394.11
IUPAC NameN-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ccc(-n3ccncc3=O)cc2F)C1=O)S(C)(=O)=O
InChIInChI=1S/C17H19FN4O4S/c1-20(27(2,25)26)15-4-3-8-22(17(15)24)14-6-5-12(10-13(14)18)21-9-7-19-11-16(21)23/h5-7,9-11,15H,3-4,8H2,1-2H3
InChIKeyAXVXNOHRUOYFLM-UHFFFAOYSA-N
XLogP0.76
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide (CID 58778164) is N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide is CN(C1CCCN(c2ccc(-n3ccncc3=O)cc2F)C1=O)S(C)(=O)=O.
What is the InChIKey of N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is AXVXNOHRUOYFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4S/c1-20(27(2,25)26)15-4-3-8-22(17(15)24)14-6-5-12(10-13(14)18)21-9-7-19-11-16(21)23/h5-7,9-11,15H,3-4,8H2,1-2H3.
What are the key properties of N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide?
N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 394.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-2-oxopiperidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58778164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).