ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate

C17H17NO5 — CID 11278480

IUPACethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2cc(C(=O)OCC)ccc2=O)cc1
InChIInChI=1S/C17H17NO5/c1-3-22-16(20)12-5-8-14(9-6-12)18-11-13(7-10-15(18)19)17(21)23-4-2/h5-11H,3-4H2,1-2H3
InChIKeyPTZSQKJIISJQEA-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.19
Rot. Bonds5

About ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate

ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate (PubChem CID 11278480) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
PubChem CID11278480
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Nameethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2cc(C(=O)OCC)ccc2=O)cc1
InChIInChI=1S/C17H17NO5/c1-3-22-16(20)12-5-8-14(9-6-12)18-11-13(7-10-15(18)19)17(21)23-4-2/h5-11H,3-4H2,1-2H3
InChIKeyPTZSQKJIISJQEA-UHFFFAOYSA-N
XLogP2.19
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
CID 167473354
ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
CID 167473466
ethyl 1-tert-butyl-6-oxopyridine-3-carboxylate
CID 67056855
ethyl 6-oxo-1-[3-(2H-triazol-4-yl)phenyl]pyridine-3-carboxylate
CID 167473451
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 1-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phenyl]-6-oxopyridine-3-carboxylate
CID 86687860
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate (CID 11278480) is ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(-n2cc(C(=O)OCC)ccc2=O)cc1.
What is the InChIKey of ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is PTZSQKJIISJQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-22-16(20)12-5-8-14(9-6-12)18-11-13(7-10-15(18)19)17(21)23-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate?
ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11278480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).