2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide

C22H24N6O5S — CID 135541385

IUPAC2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide
SMILESCC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NCC(N)=O)ccc3N2)c(O)c2cccnc21
InChIInChI=1S/C22H24N6O5S/c1-12(2)7-9-28-21-14(4-3-8-24-21)19(30)18(22(28)31)20-26-15-6-5-13(25-11-17(23)29)10-16(15)34(32,33)27-20/h3-6,8,10,12,25,30H,7,9,11H2,1-2H3,(H2,23,29)(H,26,27)
InChIKeyNUFZCBCYWOPQKZ-UHFFFAOYSA-N
MW484.54 g/mol
LogP1.61
Rot. Bonds7

About 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide

2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide (PubChem CID 135541385) has the molecular formula C22H24N6O5S and a molecular weight of 484.54 g/mol. Its IUPAC name is 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide
PubChem CID135541385
Molecular FormulaC22H24N6O5S
Molecular Weight484.54 g/mol
Exact Mass484.15
IUPAC Name2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide
SMILESCC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NCC(N)=O)ccc3N2)c(O)c2cccnc21
InChIInChI=1S/C22H24N6O5S/c1-12(2)7-9-28-21-14(4-3-8-24-21)19(30)18(22(28)31)20-26-15-6-5-13(25-11-17(23)29)10-16(15)34(32,33)27-20/h3-6,8,10,12,25,30H,7,9,11H2,1-2H3,(H2,23,29)(H,26,27)
InChIKeyNUFZCBCYWOPQKZ-UHFFFAOYSA-N
XLogP1.61
TPSA168.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide?
The IUPAC name of 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide (CID 135541385) is 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide.
What is the SMILES notation for 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide?
The canonical SMILES for 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide is CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NCC(N)=O)ccc3N2)c(O)c2cccnc21.
What is the InChIKey of 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide?
The InChIKey is NUFZCBCYWOPQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5S/c1-12(2)7-9-28-21-14(4-3-8-24-21)19(30)18(22(28)31)20-26-15-6-5-13(25-11-17(23)29)10-16(15)34(32,33)27-20/h3-6,8,10,12,25,30H,7,9,11H2,1-2H3,(H2,23,29)(H,26,27).
What are the key properties of 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide?
2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide has a molecular weight of 484.54 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]amino]acetamide is sourced from PubChem (CID 135541385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).