methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate

C20H20FN3O6S — CID 175228735

IUPACmethyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1O
InChIInChI=1S/C20H20FN3O6S/c1-30-18(26)12-23-20(27)19-17(25)9-14(11-22-19)13-5-7-24(8-6-13)31(28,29)16-4-2-3-15(21)10-16/h2-5,9-11,25H,6-8,12H2,1H3,(H,23,27)
InChIKeyYVBNGCCHQUZRGC-UHFFFAOYSA-N
MW449.46 g/mol
LogP1.31
Rot. Bonds6

About methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate

methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate (PubChem CID 175228735) has the molecular formula C20H20FN3O6S and a molecular weight of 449.46 g/mol. Its IUPAC name is methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate
PubChem CID175228735
Molecular FormulaC20H20FN3O6S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC Namemethyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1O
InChIInChI=1S/C20H20FN3O6S/c1-30-18(26)12-23-20(27)19-17(25)9-14(11-22-19)13-5-7-24(8-6-13)31(28,29)16-4-2-3-15(21)10-16/h2-5,9-11,25H,6-8,12H2,1H3,(H,23,27)
InChIKeyYVBNGCCHQUZRGC-UHFFFAOYSA-N
XLogP1.31
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[3-hydroxy-5-[1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carbonyl]amino]acetate
CID 175228762
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
methyl 2-[[5-(2-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 24891581
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 142369403
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzamide
CID 9369355
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 35327621
methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
CID 157422619
methyl 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylate
CID 3381473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate (CID 175228735) is methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ncc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1O.
What is the InChIKey of methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate?
The InChIKey is YVBNGCCHQUZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O6S/c1-30-18(26)12-23-20(27)19-17(25)9-14(11-22-19)13-5-7-24(8-6-13)31(28,29)16-4-2-3-15(21)10-16/h2-5,9-11,25H,6-8,12H2,1H3,(H,23,27).
What are the key properties of methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate has a molecular weight of 449.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 175228735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).