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

C13H18N2O5 — CID 175780669

IUPACethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)ccn1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O5/c1-5-19-11(17)10-8-9(16)6-7-15(10)14-12(18)20-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,18)
InChIKeyNGWUSWRBCXKFGF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.50
Rot. Bonds3

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

ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate (PubChem CID 175780669) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate
PubChem CID175780669
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)ccn1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O5/c1-5-19-11(17)10-8-9(16)6-7-15(10)14-12(18)20-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,18)
InChIKeyNGWUSWRBCXKFGF-UHFFFAOYSA-N
XLogP1.50
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
ethyl 6,7-dimethyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-2-carboxylate
CID 170610188
ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69416886
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415715
ethyl 7-fluoro-6-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415422
ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415607
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
CID 156537612
ethyl 6-chloro-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 87797333
ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415486
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
CID 130458351
ethyl (Z)-3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]imidazol-2-yl]prop-2-enoate
CID 155456628

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate (CID 175780669) is ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate is CCOC(=O)c1cc(=O)ccn1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate?
The InChIKey is NGWUSWRBCXKFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-5-19-11(17)10-8-9(16)6-7-15(10)14-12(18)20-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,18).
What are the key properties of ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate?
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate is sourced from PubChem (CID 175780669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).