methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate

C20H17FN2O4 — CID 118213168

IUPACmethyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(Cc2ccc(Cc3ccc[nH]c3=O)c(F)c2)c1
InChIInChI=1S/C20H17FN2O4/c1-27-20(26)16-10-15(19(25)23-11-16)7-12-4-5-13(17(21)8-12)9-14-3-2-6-22-18(14)24/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyFPPFZVXUWADWPI-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.17
Rot. Bonds5

About methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 118213168) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate
PubChem CID118213168
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Namemethyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(Cc2ccc(Cc3ccc[nH]c3=O)c(F)c2)c1
InChIInChI=1S/C20H17FN2O4/c1-27-20(26)16-10-15(19(25)23-11-16)7-12-4-5-13(17(21)8-12)9-14-3-2-6-22-18(14)24/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyFPPFZVXUWADWPI-UHFFFAOYSA-N
XLogP2.17
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate (CID 118213168) is methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c(Cc2ccc(Cc3ccc[nH]c3=O)c(F)c2)c1.
What is the InChIKey of methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FPPFZVXUWADWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-27-20(26)16-10-15(19(25)23-11-16)7-12-4-5-13(17(21)8-12)9-14-3-2-6-22-18(14)24/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-fluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 118213168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).