5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide

C23H25N5O5S — CID 10152095

IUPAC5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C23H25N5O5S/c1-24-18(29)13-15-7-2-3-8-16(15)14-26-23(31)20-21(30)19-17(9-6-10-25-19)22(27-20)28-11-4-5-12-34(28,32)33/h2-3,6-10,30H,4-5,11-14H2,1H3,(H,24,29)(H,26,31)
InChIKeyHJLDLXIXNPKXRU-UHFFFAOYSA-N
MW483.55 g/mol
LogP1.48
Rot. Bonds6

About 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 10152095) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID10152095
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C23H25N5O5S/c1-24-18(29)13-15-7-2-3-8-16(15)14-26-23(31)20-21(30)19-17(9-6-10-25-19)22(27-20)28-11-4-5-12-34(28,32)33/h2-3,6-10,30H,4-5,11-14H2,1H3,(H,24,29)(H,26,31)
InChIKeyHJLDLXIXNPKXRU-UHFFFAOYSA-N
XLogP1.48
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 457930
5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 3013396
N-[[2-(dimethylcarbamoyl)-4-fluoro-phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 3013397
8-Hydroxy-5-(3-methyl-2,6-dioxo-hexahydro-pyrimidin-4-yl)-[1,6]naphthyridine-7-carboxylic acid 4-fluoro-benzylamide
CID 5275802
8-Hydroxy-5-(1-methyl-2,6-dioxo-hexahydro-pyrimidin-4-yl)-[1,6]naphthyridine-7-carboxylic acid 4-fluoro-benzylamide
CID 5275803
L-870812
CID 6918643
N-[[2-[2-(dimethylamino)-2-oxo-ethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10128243
1-(7-{[(4-Fluorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)-4-methylpiperazine
CID 15958274
5-[[2-(dimethylamino)-2-oxoethyl](methyl)amino]-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 15958276
N-(4-fluorobenzyl)-8-hydroxy-5-(N-methylacetamido)-1,6-naphthyridine-7-carboxamide
CID 15958277
N-benzyl-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 16728074
N-[[2-(dimethylsulfamoyl)-4-fluoro-phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 16728075

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide (CID 10152095) is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide is CNC(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is HJLDLXIXNPKXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-24-18(29)13-15-7-2-3-8-16(15)14-26-23(31)20-21(30)19-17(9-6-10-25-19)22(27-20)28-11-4-5-12-34(28,32)33/h2-3,6-10,30H,4-5,11-14H2,1H3,(H,24,29)(H,26,31).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10152095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).