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

C20H17FN2O4 — CID 118220651

IUPACmethyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C20H17FN2O4/c1-27-20(26)16-7-8-19(25)23(13-16)11-14-5-6-15(17(21)10-14)12-22-9-3-2-4-18(22)24/h2-10,13H,11-12H2,1H3
InChIKeyZGLNYRPQKDSUIW-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.03
Rot. Bonds5

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

methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate (PubChem CID 118220651) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
PubChem CID118220651
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Namemethyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C20H17FN2O4/c1-27-20(26)16-7-8-19(25)23(13-16)11-14-5-6-15(17(21)10-14)12-22-9-3-2-4-18(22)24/h2-10,13H,11-12H2,1H3
InChIKeyZGLNYRPQKDSUIW-UHFFFAOYSA-N
XLogP2.03
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Methyl 5-bromo-1-[2-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 660131
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75462001
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75462414
methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate
CID 53235710
methyl (4Z)-4-(4-fluorobenzylidene)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 5455855
Methyl 6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxylate
CID 3745688
Methyl 1-(4-fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 21081722
Methyl 1-[(2-fluoro-4-iodophenyl)methyl]-2-(methoxymethyl)-6-oxopyridine-4-carboxylate
CID 54406145
6-Butyl-4-methoxycarbonyl-2-oxo-1-(2-fluoro-4-iodophenylmethyl)-1,2-dihydropyridine
CID 54512398
methyl 5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 58110697
Methyl 5-bromo-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 58217828
Ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 59362503

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate (CID 118220651) is methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1.
What is the InChIKey of methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is ZGLNYRPQKDSUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-27-20(26)16-7-8-19(25)23(13-16)11-14-5-6-15(17(21)10-14)12-22-9-3-2-4-18(22)24/h2-10,13H,11-12H2,1H3.
What are the key properties of methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate?
methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 118220651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).