diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate

C24H25NO5 — CID 91929477

IUPACdiethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccoc2)N=C(C)C(C(=O)OCC)C1/C=C/c1ccccc1
InChIInChI=1S/C24H25NO5/c1-4-29-23(26)20-16(3)25-22(18-13-14-28-15-18)21(24(27)30-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+
InChIKeyIXFMPLDXVRMBSB-VAWYXSNFSA-N
MW407.47 g/mol
LogP4.54
Rot. Bonds7

About diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate

diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 91929477) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID91929477
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namediethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccoc2)N=C(C)C(C(=O)OCC)C1/C=C/c1ccccc1
InChIInChI=1S/C24H25NO5/c1-4-29-23(26)20-16(3)25-22(18-13-14-28-15-18)21(24(27)30-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+
InChIKeyIXFMPLDXVRMBSB-VAWYXSNFSA-N
XLogP4.54
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-(2-phenylethenyl)-5-(3-phenylprop-2-enoxycarbonyl)-3,4-dihydropyridine-3-carboxylic acid
CID 91331303
ethyl 4-methyl-6-(2-phenylethenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 4921449
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
5-O-benzyl 3-O-ethyl 2,4-dimethyl-6-phenyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54223911
ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
CID 11043911
ethyl 4-(2,4-dichlorophenyl)-6-(furan-3-yl)-3-isocyano-2-methyl-3,4-dihydropyridine-5-carboxylate
CID 91209659
diethyl 2-(4-chlorophenyl)-6-methyl-4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 5379597
ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129441966
ethyl (5R)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129441967
ethyl 3-[(E)-2-phenylethenyl]-1,4-dioxane-2-carboxylate
CID 91748647
diethyl 4-(furan-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 46888082
trans-diethyl (2S,3S)-2-ethyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 101382561

Frequently Asked Questions

What is the IUPAC name of diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate (CID 91929477) is diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(c2ccoc2)N=C(C)C(C(=O)OCC)C1/C=C/c1ccccc1.
What is the InChIKey of diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is IXFMPLDXVRMBSB-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H25NO5/c1-4-29-23(26)20-16(3)25-22(18-13-14-28-15-18)21(24(27)30-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+.
What are the key properties of diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate?
diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 407.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 91929477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).