ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate

C17H15N3O4 — CID 167473466

IUPACethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2cccc(-n3cc[nH]c3=O)c2)c1
InChIInChI=1S/C17H15N3O4/c1-2-24-16(22)12-6-7-15(21)20(11-12)14-5-3-4-13(10-14)19-9-8-18-17(19)23/h3-11H,2H2,1H3,(H,18,23)
InChIKeySEVPIPCKIHSGJL-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.49
Rot. Bonds4

About ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate

ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate (PubChem CID 167473466) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
PubChem CID167473466
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2cccc(-n3cc[nH]c3=O)c2)c1
InChIInChI=1S/C17H15N3O4/c1-2-24-16(22)12-6-7-15(21)20(11-12)14-5-3-4-13(10-14)19-9-8-18-17(19)23/h3-11H,2H2,1H3,(H,18,23)
InChIKeySEVPIPCKIHSGJL-UHFFFAOYSA-N
XLogP1.49
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-oxo-1-[3-(2H-triazol-4-yl)phenyl]pyridine-3-carboxylate
CID 167473451
ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
CID 167473354
ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
CID 11278480
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 1-tert-butyl-6-oxopyridine-3-carboxylate
CID 67056855
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate
CID 54606839
3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 67344082
ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218078

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate (CID 167473466) is ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n(-c2cccc(-n3cc[nH]c3=O)c2)c1.
What is the InChIKey of ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate?
The InChIKey is SEVPIPCKIHSGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-24-16(22)12-6-7-15(21)20(11-12)14-5-3-4-13(10-14)19-9-8-18-17(19)23/h3-11H,2H2,1H3,(H,18,23).
What are the key properties of ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate?
ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 167473466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).