methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate

C20H16F2N2O4 — CID 118213206

IUPACmethyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2F)c1
InChIInChI=1S/C20H16F2N2O4/c1-28-20(27)15-7-8-17(26)24(12-15)11-14-6-5-13(18(21)19(14)22)10-23-9-3-2-4-16(23)25/h2-9,12H,10-11H2,1H3
InChIKeySZVULNDJWRWAKB-UHFFFAOYSA-N
MW386.35 g/mol
LogP2.17
Rot. Bonds5

About methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate

methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate (PubChem CID 118213206) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
PubChem CID118213206
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Namemethyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2F)c1
InChIInChI=1S/C20H16F2N2O4/c1-28-20(27)15-7-8-17(26)24(12-15)11-14-6-5-13(18(21)19(14)22)10-23-9-3-2-4-16(23)25/h2-9,12H,10-11H2,1H3
InChIKeySZVULNDJWRWAKB-UHFFFAOYSA-N
XLogP2.17
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263
ethane;methyl 1-[[2,3-difluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 144880751
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate
CID 141390966
methyl 1-[(4-cyano-2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 17468293
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
CID 78018913
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
CID 123317340
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 163348793

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate (CID 118213206) is methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2F)c1.
What is the InChIKey of methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is SZVULNDJWRWAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-28-20(27)15-7-8-17(26)24(12-15)11-14-6-5-13(18(21)19(14)22)10-23-9-3-2-4-16(23)25/h2-9,12H,10-11H2,1H3.
What are the key properties of methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 386.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 118213206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).