ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate

C19H21FN2O5 — CID 152573869

IUPACethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)OC(C)(C)C)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H21FN2O5/c1-5-26-17(24)14-10-11-15(21-18(25)27-19(2,3)4)22(16(14)23)13-8-6-12(20)7-9-13/h6-11H,5H2,1-4H3,(H,21,25)
InChIKeyYSBJFKWMWDVJFI-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.50
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate

ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate (PubChem CID 152573869) has the molecular formula C19H21FN2O5 and a molecular weight of 376.38 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate
PubChem CID152573869
Molecular FormulaC19H21FN2O5
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Nameethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)OC(C)(C)C)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H21FN2O5/c1-5-26-17(24)14-10-11-15(21-18(25)27-19(2,3)4)22(16(14)23)13-8-6-12(20)7-9-13/h6-11H,5H2,1-4H3,(H,21,25)
InChIKeyYSBJFKWMWDVJFI-UHFFFAOYSA-N
XLogP3.50
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
CID 156537612
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
ethyl 5-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2H-triazole-4-carboxylate
CID 169400231
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
tert-butyl 4-[5-[2-fluoro-4-[[1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carbonyl]amino]phenoxy]-1-methylindazol-6-yl]pyrazole-1-carboxylate
CID 150134218
ethyl 6-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxylate
CID 100786062
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
ethyl 3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)-2,4-dioxopyrimidine-5-carboxylate
CID 162488526
ethyl 4-fluoro-2-hydrazinylbenzoate
CID 131143965
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 155177441

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate (CID 152573869) is ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate?
The InChIKey is YSBJFKWMWDVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5/c1-5-26-17(24)14-10-11-15(21-18(25)27-19(2,3)4)22(16(14)23)13-8-6-12(20)7-9-13/h6-11H,5H2,1-4H3,(H,21,25).
What are the key properties of ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 152573869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).