N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C21H20FN5O5S — CID 70998753

IUPACN-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESNC(=O)CN(Cc1ccc(F)cc1)C(=O)c1nc(N2CCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C21H20FN5O5S/c22-14-6-4-13(5-7-14)11-26(12-16(23)28)21(30)18-19(29)17-15(3-1-8-24-17)20(25-18)27-9-2-10-33(27,31)32/h1,3-8,29H,2,9-12H2,(H2,23,28)
InChIKeyPIXZWMQDMWUXAH-UHFFFAOYSA-N
MW473.49 g/mol
LogP1.14
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 70998753) has the molecular formula C21H20FN5O5S and a molecular weight of 473.49 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID70998753
Molecular FormulaC21H20FN5O5S
Molecular Weight473.49 g/mol
Exact Mass473.12
IUPAC NameN-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESNC(=O)CN(Cc1ccc(F)cc1)C(=O)c1nc(N2CCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C21H20FN5O5S/c22-14-6-4-13(5-7-14)11-26(12-16(23)28)21(30)18-19(29)17-15(3-1-8-24-17)20(25-18)27-9-2-10-33(27,31)32/h1,3-8,29H,2,9-12H2,(H2,23,28)
InChIKeyPIXZWMQDMWUXAH-UHFFFAOYSA-N
XLogP1.14
TPSA146.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,1-dioxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10303080
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
5-(1,1-dioxido-1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346260
5-(1,1-dihydroxy-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346479
5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 70038018
[5-(1,1-dioxothiazinan-2-yl)-7-[(4-fluorophenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate
CID 59983162
5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol
CID 70998737
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 3013404
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
CID 22346465
methyl 5-(1,1-dioxothiazinan-2-yl)-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696277
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 20816860
5-(5-ethyl-1,1-dioxido-4-oxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346335

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 70998753) is N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is NC(=O)CN(Cc1ccc(F)cc1)C(=O)c1nc(N2CCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is PIXZWMQDMWUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O5S/c22-14-6-4-13(5-7-14)11-26(12-16(23)28)21(30)18-19(29)17-15(3-1-8-24-17)20(25-18)27-9-2-10-33(27,31)32/h1,3-8,29H,2,9-12H2,(H2,23,28).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 70998753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).