2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide

C11H16N4O4S — CID 68567225

IUPAC2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide
SMILESCN(CC(N)=O)c1cc(CC(N)=O)cc(S(C)(=O)=O)n1
InChIInChI=1S/C11H16N4O4S/c1-15(6-9(13)17)10-4-7(3-8(12)16)5-11(14-10)20(2,18)19/h4-5H,3,6H2,1-2H3,(H2,12,16)(H2,13,17)
InChIKeyVGVGFLBIXRZAKI-UHFFFAOYSA-N
MW300.34 g/mol
LogP-1.57
Rot. Bonds6

About 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide

2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide (PubChem CID 68567225) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide
PubChem CID68567225
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide
SMILESCN(CC(N)=O)c1cc(CC(N)=O)cc(S(C)(=O)=O)n1
InChIInChI=1S/C11H16N4O4S/c1-15(6-9(13)17)10-4-7(3-8(12)16)5-11(14-10)20(2,18)19/h4-5H,3,6H2,1-2H3,(H2,12,16)(H2,13,17)
InChIKeyVGVGFLBIXRZAKI-UHFFFAOYSA-N
XLogP-1.57
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide?
The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide (CID 68567225) is 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide?
The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide is CN(CC(N)=O)c1cc(CC(N)=O)cc(S(C)(=O)=O)n1.
What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide?
The InChIKey is VGVGFLBIXRZAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-15(6-9(13)17)10-4-7(3-8(12)16)5-11(14-10)20(2,18)19/h4-5H,3,6H2,1-2H3,(H2,12,16)(H2,13,17).
What are the key properties of 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide?
2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide has a molecular weight of 300.34 g/mol, XLogP of -1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide is sourced from PubChem (CID 68567225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).