[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate

C18H13N3O4 — CID 59252455

IUPAC[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C18H13N3O4/c22-16(12-24-17(23)13-5-4-8-19-9-13)14-10-20-18(21-11-14)25-15-6-2-1-3-7-15/h1-11H,12H2
InChIKeyIMGWVGGTALVWPB-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.70
Rot. Bonds6

About [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate

[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate (PubChem CID 59252455) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate
PubChem CID59252455
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C18H13N3O4/c22-16(12-24-17(23)13-5-4-8-19-9-13)14-10-20-18(21-11-14)25-15-6-2-1-3-7-15/h1-11H,12H2
InChIKeyIMGWVGGTALVWPB-UHFFFAOYSA-N
XLogP2.70
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate
CID 59252378
2-oxopropyl pyridine-3-carboxylate
CID 69192363
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804
[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
CID 141114966
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
2-oxoethyl pyridine-3-carboxylate
CID 54542225
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413749
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
phenacyl 5-bromopyridine-3-carboxylate
CID 2586792

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate (CID 59252455) is [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)c1cnc(Oc2ccccc2)nc1.
What is the InChIKey of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate?
The InChIKey is IMGWVGGTALVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-16(12-24-17(23)13-5-4-8-19-9-13)14-10-20-18(21-11-14)25-15-6-2-1-3-7-15/h1-11H,12H2.
What are the key properties of [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate?
[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate is sourced from PubChem (CID 59252455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).