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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Related Compounds

3',5'-Diethyl 1',4'-dihydro-2',6'-dimethyl(2,4'-bipyridine)-3',5'-dicarboxylate
CID 99955
Diethyl 1',4'-dihydro-2',6'-dimethyl-(3,4'-bipyridine)-3',5'-dicarboxylate
CID 100279
Diethyl 1,2,6-trimethyl-1,4-dihydro-4,4'-bipyridine-3,5-dicarboxylate
CID 40672
Diethyl 1',2',6'-trimethyl-1',4'-dihydro-2,4'-bipyridine-3',5'-dicarboxylate
CID 674186
Dimethyl 1,4-dihydro-4-(2-pyridinyl)-1,2,6-trimethyl-3,5-pyridinedicarboxylate
CID 714587
dimethyl 1,2,6-trimethyl-4-pyridin-4-yl-4H-pyridine-3,5-dicarboxylate
CID 742390
6-Amino-5-cyano-2-phenyl-4-pyridin-3-YL-4H-pyran-3-carboxylic acid ethyl ester
CID 3156232
Dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
CID 782061
Mesudipine
CID 68817
2-methoxyethyl 2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655012
2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655935
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester
CID 661975

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).