diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate

C17H20N2O5 — CID 658707

IUPACdiethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1
InChIInChI=1S/C17H20N2O5/c1-4-22-16(20)12-10(3)24-15(18)14(17(21)23-5-2)13(12)11-7-6-8-19-9-11/h6-9,13H,4-5,18H2,1-3H3
InChIKeyQAIBLNWRHVBMAN-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.77
Rot. Bonds5

About diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate

diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate (PubChem CID 658707) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
PubChem CID658707
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namediethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1
InChIInChI=1S/C17H20N2O5/c1-4-22-16(20)12-10(3)24-15(18)14(17(21)23-5-2)13(12)11-7-6-8-19-9-11/h6-9,13H,4-5,18H2,1-3H3
InChIKeyQAIBLNWRHVBMAN-UHFFFAOYSA-N
XLogP1.77
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
The IUPAC name of diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate (CID 658707) is diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate is CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1.
What is the InChIKey of diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
The InChIKey is QAIBLNWRHVBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-22-16(20)12-10(3)24-15(18)14(17(21)23-5-2)13(12)11-7-6-8-19-9-11/h6-9,13H,4-5,18H2,1-3H3.
What are the key properties of diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate?
diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 658707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).