dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C16H19NO5 — CID 698276

IUPACdimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)o1
InChIInChI=1S/C16H19NO5/c1-8-6-7-11(22-8)14-12(15(18)20-4)9(2)17-10(3)13(14)16(19)21-5/h6-7,14,17H,1-5H3
InChIKeyQFBBWNBTECTMDL-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.17
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 698276) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID698276
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Namedimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)o1
InChIInChI=1S/C16H19NO5/c1-8-6-7-11(22-8)14-12(15(18)20-4)9(2)17-10(3)13(14)16(19)21-5/h6-7,14,17H,1-5H3
InChIKeyQFBBWNBTECTMDL-UHFFFAOYSA-N
XLogP2.17
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 698276) is dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)o1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is QFBBWNBTECTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-8-6-7-11(22-8)14-12(15(18)20-4)9(2)17-10(3)13(14)16(19)21-5/h6-7,14,17H,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 698276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).