sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate

C19H17FN5NaO5S — CID 69180145

IUPACsodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate
SMILESCN(c1nc(C(=O)NCc2ccc(F)cc2C(N)=O)c([O-])c2ncccc12)S(C)(=O)=O.[Na+]
InChIInChI=1S/C19H18FN5O5S.Na/c1-25(31(2,29)30)18-12-4-3-7-22-14(12)16(26)15(24-18)19(28)23-9-10-5-6-11(20)8-13(10)17(21)27;/h3-8,26H,9H2,1-2H3,(H2,21,27)(H,23,28);/q;+1/p-1
InChIKeyYYAILUVLYDGOTN-UHFFFAOYSA-M
MW469.43 g/mol
LogP-2.73
Rot. Bonds6

About sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate

sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate (PubChem CID 69180145) has the molecular formula C19H17FN5NaO5S and a molecular weight of 469.43 g/mol. Its IUPAC name is sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate.

Molecular Properties

Compound Namesodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate
PubChem CID69180145
Molecular FormulaC19H17FN5NaO5S
Molecular Weight469.43 g/mol
Exact Mass469.08
IUPAC Namesodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate
SMILESCN(c1nc(C(=O)NCc2ccc(F)cc2C(N)=O)c([O-])c2ncccc12)S(C)(=O)=O.[Na+]
InChIInChI=1S/C19H18FN5O5S.Na/c1-25(31(2,29)30)18-12-4-3-7-22-14(12)16(26)15(24-18)19(28)23-9-10-5-6-11(20)8-13(10)17(21)27;/h3-8,26H,9H2,1-2H3,(H2,21,27)(H,23,28);/q;+1/p-1
InChIKeyYYAILUVLYDGOTN-UHFFFAOYSA-M
XLogP-2.73
TPSA158.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 5-2.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
2-O-[7-[[4-fluoro-2-(methylcarbamoyl)phenyl]methylcarbamoyl]-5-[(2-methoxy-2-oxoacetyl)-methylamino]-1,6-naphthyridin-8-yl] 1-O-methyl oxalate
CID 142808059
5-fluoro-2-[[8-hydroxy-9-[(4-methoxyphenyl)methoxy]-5-[methyl(methylsulfonyl)amino]pyrrolo[3,4-g]quinolin-7-yl]methyl]-N-methylbenzamide
CID 91064326
N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide
CID 22346274
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide
CID 112845243
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55692623
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide
CID 53148228

Frequently Asked Questions

What is the IUPAC name of sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate?
The IUPAC name of sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate (CID 69180145) is sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate.
What is the SMILES notation for sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate?
The canonical SMILES for sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate is CN(c1nc(C(=O)NCc2ccc(F)cc2C(N)=O)c([O-])c2ncccc12)S(C)(=O)=O.[Na+].
What is the InChIKey of sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate?
The InChIKey is YYAILUVLYDGOTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18FN5O5S.Na/c1-25(31(2,29)30)18-12-4-3-7-22-14(12)16(26)15(24-18)19(28)23-9-10-5-6-11(20)8-13(10)17(21)27;/h3-8,26H,9H2,1-2H3,(H2,21,27)(H,23,28);/q;+1/p-1.
What are the key properties of sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate?
sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate has a molecular weight of 469.43 g/mol, XLogP of -2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-[(2-carbamoyl-4-fluorophenyl)methylcarbamoyl]-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridin-8-olate is sourced from PubChem (CID 69180145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).