5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C16H19NO5 — CID 2832255

IUPAC5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccco1
InChIInChI=1S/C16H19NO5/c1-5-21-16(19)13-10(3)17-9(2)12(15(18)20-4)14(13)11-7-6-8-22-11/h6-8,14,17H,5H2,1-4H3
InChIKeyOLXWQAXTBFSAHN-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.25
Rot. Bonds4

About 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2832255) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2832255
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccco1
InChIInChI=1S/C16H19NO5/c1-5-21-16(19)13-10(3)17-9(2)12(15(18)20-4)14(13)11-7-6-8-22-11/h6-8,14,17H,5H2,1-4H3
InChIKeyOLXWQAXTBFSAHN-UHFFFAOYSA-N
XLogP2.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Diethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 211446
3,5-Dimethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 206197
Diallyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2891717
Diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 680018
Dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 979325
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-propyl-4H-pyran-3-carboxylate
CID 3160917
Cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 625400
4-(Furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 675065
2-Phenoxyethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2872734
Ethyl 6-(furan-2-yl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 659443
4-(furan-3-yl)-2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
CID 22949305
prop-2-en-1-yl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 534380

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 2832255) is 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccco1.
What is the InChIKey of 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is OLXWQAXTBFSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-5-21-16(19)13-10(3)17-9(2)12(15(18)20-4)14(13)11-7-6-8-22-11/h6-8,14,17H,5H2,1-4H3.
What are the key properties of 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 3-O-methyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2832255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).