methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate

C12H13N3O5S — CID 59645218

IUPACmethyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(N(C)S(C)(=O)=O)c2cccnc2c1O
InChIInChI=1S/C12H13N3O5S/c1-15(21(3,18)19)11-7-5-4-6-13-8(7)10(16)9(14-11)12(17)20-2/h4-6,16H,1-3H3
InChIKeyVFMSRFWTSZCLGZ-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.52
Rot. Bonds3

About methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate

methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate (PubChem CID 59645218) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
PubChem CID59645218
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Namemethyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(N(C)S(C)(=O)=O)c2cccnc2c1O
InChIInChI=1S/C12H13N3O5S/c1-15(21(3,18)19)11-7-5-4-6-13-8(7)10(16)9(14-11)12(17)20-2/h4-6,16H,1-3H3
InChIKeyVFMSRFWTSZCLGZ-UHFFFAOYSA-N
XLogP0.52
TPSA109.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 142807716
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate
CID 69180145
7-methoxycarbonyl-8-(4-methylphenyl)sulfonyloxy-5-[methyl(sulfinato)amino]-1,6-naphthyridine
CID 140586500
8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
CID 59854219
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxamide
CID 20750074
methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626
methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate
CID 67215267
methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
CID 142807728
8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate
CID 90711305
[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]boronic acid
CID 123423217

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate (CID 59645218) is methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate is COC(=O)c1nc(N(C)S(C)(=O)=O)c2cccnc2c1O.
What is the InChIKey of methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate?
The InChIKey is VFMSRFWTSZCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-15(21(3,18)19)11-7-5-4-6-13-8(7)10(16)9(14-11)12(17)20-2/h4-6,16H,1-3H3.
What are the key properties of methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate?
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 59645218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).