ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate

C20H23NO4 — CID 54550303

IUPACethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)OC(C)C2)C1c1ccccc1C
InChIInChI=1S/C20H23NO4/c1-5-24-19(22)16-13(4)21-15-10-12(3)25-20(23)18(15)17(16)14-9-7-6-8-11(14)2/h6-9,12,16-17H,5,10H2,1-4H3
InChIKeyZJKOKUMRRYGJFR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.32
Rot. Bonds3

About ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate

ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate (PubChem CID 54550303) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate
PubChem CID54550303
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=NC2=C(C(=O)OC(C)C2)C1c1ccccc1C
InChIInChI=1S/C20H23NO4/c1-5-24-19(22)16-13(4)21-15-10-12(3)25-20(23)18(15)17(16)14-9-7-6-8-11(14)2/h6-9,12,16-17H,5,10H2,1-4H3
InChIKeyZJKOKUMRRYGJFR-UHFFFAOYSA-N
XLogP3.32
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate with MolForge

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Related Compounds

3-O-ethyl 6-O-methyl (3S,4R,6S,7R)-4-(2-ethoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3,6-dicarboxylate
CID 7331888
ethyl (4R,7S)-4-(2-chlorophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7449125
ethyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6961473
ethyl (4S,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960005
ethyl 4-(2-benzylsulfinylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-3H-furo[3,4-b]pyridine-3-carboxylate
CID 54128287
ethyl (4R,7S)-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089906
diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate
CID 70607637
ethyl (4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6961501
ethyl (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6971721
ethyl (4S,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6971718
ethyl (4S)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960661
ethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966655

Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate (CID 54550303) is ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate is CCOC(=O)C1C(C)=NC2=C(C(=O)OC(C)C2)C1c1ccccc1C.
What is the InChIKey of ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate?
The InChIKey is ZJKOKUMRRYGJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-24-19(22)16-13(4)21-15-10-12(3)25-20(23)18(15)17(16)14-9-7-6-8-11(14)2/h6-9,12,16-17H,5,10H2,1-4H3.
What are the key properties of ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate?
ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 54550303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).