methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate

C18H18N2O6 — CID 130400183

IUPACmethyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)c(C(N)=O)cn1CC(C)=O
InChIInChI=1S/C18H18N2O6/c1-11(21)8-20-9-13(17(19)23)15(22)16(14(20)18(24)25-2)26-10-12-6-4-3-5-7-12/h3-7,9H,8,10H2,1-2H3,(H2,19,23)
InChIKeyWNHZPYKGODXYPG-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.90
Rot. Bonds7

About methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate

methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 130400183) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
PubChem CID130400183
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namemethyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)c(C(N)=O)cn1CC(C)=O
InChIInChI=1S/C18H18N2O6/c1-11(21)8-20-9-13(17(19)23)15(22)16(14(20)18(24)25-2)26-10-12-6-4-3-5-7-12/h3-7,9H,8,10H2,1-2H3,(H2,19,23)
InChIKeyWNHZPYKGODXYPG-UHFFFAOYSA-N
XLogP0.90
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
methyl 5-bromo-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 58277229
diethyl 4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 129129880
methyl 5-[3-(4-fluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate
CID 157330935
methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-ethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 145339515
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
CID 13255232
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
CID 129129992
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
dimethyl 1-[(1S)-1-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-2-yl]-2-phenylethyl]-4-oxo-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 130410605

Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate (CID 130400183) is methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1c(OCc2ccccc2)c(=O)c(C(N)=O)cn1CC(C)=O.
What is the InChIKey of methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is WNHZPYKGODXYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-11(21)8-20-9-13(17(19)23)15(22)16(14(20)18(24)25-2)26-10-12-6-4-3-5-7-12/h3-7,9H,8,10H2,1-2H3,(H2,19,23).
What are the key properties of methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate?
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 130400183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).