7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide

C21H23FN4O5S — CID 69480972

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O)S(C)(=O)=O
InChIInChI=1S/C21H23FN4O5S/c1-25(32(3,30)31)9-8-23-20(28)17-19(27)18-16(26(2)21(17)29)11-14(12-24-18)10-13-4-6-15(22)7-5-13/h4-7,11-12,27H,8-10H2,1-3H3,(H,23,28)
InChIKeyYOWMGAVTFXXIIK-UHFFFAOYSA-N
MW462.50 g/mol
LogP0.99
Rot. Bonds7

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480972) has the molecular formula C21H23FN4O5S and a molecular weight of 462.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69480972
Molecular FormulaC21H23FN4O5S
Molecular Weight462.50 g/mol
Exact Mass462.14
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O)S(C)(=O)=O
InChIInChI=1S/C21H23FN4O5S/c1-25(32(3,30)31)9-8-23-20(28)17-19(27)18-16(26(2)21(17)29)11-14(12-24-18)10-13-4-6-15(22)7-5-13/h4-7,11-12,27H,8-10H2,1-3H3,(H,23,28)
InChIKeyYOWMGAVTFXXIIK-UHFFFAOYSA-N
XLogP0.99
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480972) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide is CN(CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O)S(C)(=O)=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is YOWMGAVTFXXIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O5S/c1-25(32(3,30)31)9-8-23-20(28)17-19(27)18-16(26(2)21(17)29)11-14(12-24-18)10-13-4-6-15(22)7-5-13/h4-7,11-12,27H,8-10H2,1-3H3,(H,23,28).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).