diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

C22H23NO5 — CID 10809863

IUPACdiethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccco1
InChIInChI=1S/C22H23NO5/c1-4-26-21(24)17-14(3)23-20(15-10-7-6-8-11-15)19(22(25)27-5-2)18(17)16-12-9-13-28-16/h6-13,18,23H,4-5H2,1-3H3
InChIKeyVAYPTTVNFLPOOM-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.78
Rot. Bonds6

About diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10809863) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10809863
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Namediethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccco1
InChIInChI=1S/C22H23NO5/c1-4-26-21(24)17-14(3)23-20(15-10-7-6-8-11-15)19(22(25)27-5-2)18(17)16-12-9-13-28-16/h6-13,18,23H,4-5H2,1-3H3
InChIKeyVAYPTTVNFLPOOM-UHFFFAOYSA-N
XLogP3.78
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
Cyclohexyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 625400
2-Phenoxyethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2872734
Sortin1
CID 2888976
Diethyl 4-(1-benzofuran-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10622571
4-(furan-3-yl)-2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
CID 22949305
Dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 698276
3-Ethyl 5-methyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2832255

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10809863) is diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccco1.
What is the InChIKey of diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is VAYPTTVNFLPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-4-26-21(24)17-14(3)23-20(15-10-7-6-8-11-15)19(22(25)27-5-2)18(17)16-12-9-13-28-16/h6-13,18,23H,4-5H2,1-3H3.
What are the key properties of diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(furan-2-yl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10809863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).