ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate

C20H18N2O4 — CID 162402866

IUPACethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)16-10-11-18(23)22(13-16)19-17(9-6-12-21-19)26-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3
InChIKeyMBDFPUPPXMOJGC-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.99
Rot. Bonds6

About ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate

ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate (PubChem CID 162402866) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate
PubChem CID162402866
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)16-10-11-18(23)22(13-16)19-17(9-6-12-21-19)26-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3
InChIKeyMBDFPUPPXMOJGC-UHFFFAOYSA-N
XLogP2.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
CID 11278480
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
6,13-bis(3-phenylmethoxy-2-pyridinyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58995891
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate (CID 162402866) is ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n(-c2ncccc2OCc2ccccc2)c1.
What is the InChIKey of ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate?
The InChIKey is MBDFPUPPXMOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-20(24)16-10-11-18(23)22(13-16)19-17(9-6-12-21-19)26-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate?
ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 162402866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).