3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate

C16H18N2O5 — CID 679375

IUPAC3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@H]1c1cccnc1
InChIInChI=1S/C16H18N2O5/c1-4-22-16(20)13-12(10-6-5-7-18-8-10)11(15(19)21-3)9(2)23-14(13)17/h5-8,12H,4,17H2,1-3H3/t12-/m1/s1
InChIKeyIBFZPQAHKMCVGU-GFCCVEGCSA-N
MW318.33 g/mol
LogP1.38
Rot. Bonds4

About 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate

3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate (PubChem CID 679375) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
PubChem CID679375
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@H]1c1cccnc1
InChIInChI=1S/C16H18N2O5/c1-4-22-16(20)13-12(10-6-5-7-18-8-10)11(15(19)21-3)9(2)23-14(13)17/h5-8,12H,4,17H2,1-3H3/t12-/m1/s1
InChIKeyIBFZPQAHKMCVGU-GFCCVEGCSA-N
XLogP1.38
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate with MolForge

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Related Compounds

3-O-ethyl 5-O-methyl (4S)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679376
methyl (4S)-2-amino-5-cyano-6-ethyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 7327444
ethyl 2-amino-5-cyano-6-(2-ethoxy-2-oxoethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 3241678
methyl (4R)-2-amino-5-cyano-6-(methoxymethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 902354
methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7179576
tert-butyl 6-amino-5-cyano-2-methyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 5236789
diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900
diethyl (4S)-2-amino-6-methyl-4-(4-nitrophenyl)-4H-pyran-3,5-dicarboxylate
CID 1376731
methyl 2-amino-6-ethyl-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475843
diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate
CID 7961146
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate
CID 8613952

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
The IUPAC name of 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate (CID 679375) is 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
The canonical SMILES for 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate is CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@H]1c1cccnc1.
What is the InChIKey of 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
The InChIKey is IBFZPQAHKMCVGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-4-22-16(20)13-12(10-6-5-7-18-8-10)11(15(19)21-3)9(2)23-14(13)17/h5-8,12H,4,17H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 679375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).