ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate

C24H20N2O5 — CID 10949752

IUPACethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=CNC(c2ccco2)=C(c2ccccc2)C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H20N2O5/c1-2-30-24(27)19-15-25-23(20-9-6-14-31-20)22(16-7-4-3-5-8-16)21(19)17-10-12-18(13-11-17)26(28)29/h3-15,21,25H,2H2,1H3
InChIKeyWRDTWOWIKKEKRJ-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.89
Rot. Bonds6

About ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate

ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 10949752) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate
PubChem CID10949752
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Nameethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=CNC(c2ccco2)=C(c2ccccc2)C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H20N2O5/c1-2-30-24(27)19-15-25-23(20-9-6-14-31-20)22(16-7-4-3-5-8-16)21(19)17-10-12-18(13-11-17)26(28)29/h3-15,21,25H,2H2,1H3
InChIKeyWRDTWOWIKKEKRJ-UHFFFAOYSA-N
XLogP4.89
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl (2R,6S)-2-(4-nitrophenyl)-4-phenyl-3,6-dihydro-2H-1,3-oxazine-5,6-dicarboxylate
CID 11091216
diethyl 2-(4-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate
CID 11110763
diethyl (4S)-2-amino-6-methyl-4-(4-nitrophenyl)-4H-pyran-3,5-dicarboxylate
CID 1376731
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl (4S)-3-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyridazine-5-carboxylate
CID 124583209
dimethyl 4-(4-nitrophenyl)-1-propyl-4H-pyridine-3,5-dicarboxylate
CID 1313651
ethyl (2S,4R,5R)-2,5-bis(4-nitrophenyl)-1,3-dioxolane-4-carboxylate
CID 23239554
diethyl 5-(4-nitrophenyl)furan-2,3-dicarboxylate
CID 164671795
ethyl (2R,4R,5S)-2,5-bis(4-nitrophenyl)-1,3-dioxolane-4-carboxylate
CID 102093716
ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate
CID 44632724
5-O-ethyl 3-O-methyl 2-(4-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate
CID 10830389

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate (CID 10949752) is ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=CNC(c2ccco2)=C(c2ccccc2)C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is WRDTWOWIKKEKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-2-30-24(27)19-15-25-23(20-9-6-14-31-20)22(16-7-4-3-5-8-16)21(19)17-10-12-18(13-11-17)26(28)29/h3-15,21,25H,2H2,1H3.
What are the key properties of ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate?
ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 416.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(furan-2-yl)-4-(4-nitrophenyl)-5-phenyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 10949752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).