N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide

C18H20FN3O5S — CID 69063052

IUPACN-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
SMILESCOc1c2c(c(N(C)S(C)(=O)=O)[nH]c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C18H20FN3O5S/c1-21(28(3,25)26)16-13-8-9-22(10-11-4-6-12(19)7-5-11)18(24)14(13)15(27-2)17(23)20-16/h4-7H,8-10H2,1-3H3,(H,20,23)
InChIKeyYGNJHTGAFNJPNN-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.12
Rot. Bonds5

About N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide

N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide (PubChem CID 69063052) has the molecular formula C18H20FN3O5S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
PubChem CID69063052
Molecular FormulaC18H20FN3O5S
Molecular Weight409.44 g/mol
Exact Mass409.11
IUPAC NameN-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
SMILESCOc1c2c(c(N(C)S(C)(=O)=O)[nH]c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C18H20FN3O5S/c1-21(28(3,25)26)16-13-8-9-22(10-11-4-6-12(19)7-5-11)18(24)14(13)15(27-2)17(23)20-16/h4-7H,8-10H2,1-3H3,(H,20,23)
InChIKeyYGNJHTGAFNJPNN-UHFFFAOYSA-N
XLogP1.12
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide (CID 69063052) is N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide is COc1c2c(c(N(C)S(C)(=O)=O)[nH]c1=O)CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
The InChIKey is YGNJHTGAFNJPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S/c1-21(28(3,25)26)16-13-8-9-22(10-11-4-6-12(19)7-5-11)18(24)14(13)15(27-2)17(23)20-16/h4-7H,8-10H2,1-3H3,(H,20,23).
What are the key properties of N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide?
N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide has a molecular weight of 409.44 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 69063052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).