N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

C23H24FN5O5S — CID 3013397

IUPACN-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C23H24FN5O5S/c1-28(2)23(32)17-12-15(24)8-7-14(17)13-26-22(31)19-20(30)18-16(6-5-9-25-18)21(27-19)29-10-3-4-11-35(29,33)34/h5-9,12,30H,3-4,10-11,13H2,1-2H3,(H,26,31)
InChIKeyZXPCMQIDAHRMPC-UHFFFAOYSA-N
MW501.54 g/mol
LogP2.04
Rot. Bonds5

About N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 3013397) has the molecular formula C23H24FN5O5S and a molecular weight of 501.54 g/mol. Its IUPAC name is N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID3013397
Molecular FormulaC23H24FN5O5S
Molecular Weight501.54 g/mol
Exact Mass501.15
IUPAC NameN-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C23H24FN5O5S/c1-28(2)23(32)17-12-15(24)8-7-14(17)13-26-22(31)19-20(30)18-16(6-5-9-25-18)21(27-19)29-10-3-4-11-35(29,33)34/h5-9,12,30H,3-4,10-11,13H2,1-2H3,(H,26,31)
InChIKeyZXPCMQIDAHRMPC-UHFFFAOYSA-N
XLogP2.04
TPSA132.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 457930
7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol
CID 135869525
5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 3013396
5-(2,6-dioxohexahydropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 5275801
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
5-(1,3-dimethyl-2,6-dioxo-hexahydropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 5275804
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
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10150134
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-[2-(methylamino)-2-oxo-ethyl]phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 10152095
1-(7-{[(4-Fluorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)-4-methylpiperazine
CID 15958274

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 3013397) is N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide is CN(C)C(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is ZXPCMQIDAHRMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O5S/c1-28(2)23(32)17-12-15(24)8-7-14(17)13-26-22(31)19-20(30)18-16(6-5-9-25-18)21(27-19)29-10-3-4-11-35(29,33)34/h5-9,12,30H,3-4,10-11,13H2,1-2H3,(H,26,31).
What are the key properties of N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylcarbamoyl)-4-fluorophenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 3013397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).