N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide

C14H16N4O4S — CID 56705924

IUPACN-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide
SMILESCOc1nc2ccn(CCN(C)S(C)(=O)=O)c(=O)c2cc1C#N
InChIInChI=1S/C14H16N4O4S/c1-17(23(3,20)21)6-7-18-5-4-12-11(14(18)19)8-10(9-15)13(16-12)22-2/h4-5,8H,6-7H2,1-3H3
InChIKeyYNGGLGNAAXPJJW-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.17
Rot. Bonds5

About N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide

N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide (PubChem CID 56705924) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide
PubChem CID56705924
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide
SMILESCOc1nc2ccn(CCN(C)S(C)(=O)=O)c(=O)c2cc1C#N
InChIInChI=1S/C14H16N4O4S/c1-17(23(3,20)21)6-7-18-5-4-12-11(14(18)19)8-10(9-15)13(16-12)22-2/h4-5,8H,6-7H2,1-3H3
InChIKeyYNGGLGNAAXPJJW-UHFFFAOYSA-N
XLogP0.17
TPSA105.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide (CID 56705924) is N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide is COc1nc2ccn(CCN(C)S(C)(=O)=O)c(=O)c2cc1C#N.
What is the InChIKey of N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide?
The InChIKey is YNGGLGNAAXPJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-17(23(3,20)21)6-7-18-5-4-12-11(14(18)19)8-10(9-15)13(16-12)22-2/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide?
N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56705924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).