N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C13H16N4O4S — CID 122249265

IUPACN-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC(Oc2ncccc2C#N)C1)S(C)(=O)=O
InChIInChI=1S/C13H16N4O4S/c1-16(22(2,19)20)9-12(18)17-7-11(8-17)21-13-10(6-14)4-3-5-15-13/h3-5,11H,7-9H2,1-2H3
InChIKeyBJLWBULINTXLIH-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.57
Rot. Bonds5

About N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 122249265) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID122249265
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC(Oc2ncccc2C#N)C1)S(C)(=O)=O
InChIInChI=1S/C13H16N4O4S/c1-16(22(2,19)20)9-12(18)17-7-11(8-17)21-13-10(6-14)4-3-5-15-13/h3-5,11H,7-9H2,1-2H3
InChIKeyBJLWBULINTXLIH-UHFFFAOYSA-N
XLogP-0.57
TPSA103.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 122249265) is N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CC(Oc2ncccc2C#N)C1)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is BJLWBULINTXLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-16(22(2,19)20)9-12(18)17-7-11(8-17)21-13-10(6-14)4-3-5-15-13/h3-5,11H,7-9H2,1-2H3.
What are the key properties of N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 324.36 g/mol, XLogP of -0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122249265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).