diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

C24H27NO6 — CID 102432514

IUPACdiethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1ccco1
InChIInChI=1S/C24H27NO6/c1-6-29-23(26)20-15(3)25(17-10-12-18(28-5)13-11-17)16(4)21(24(27)30-7-2)22(20)19-9-8-14-31-19/h8-14,22H,6-7H2,1-5H3
InChIKeyXVBGBPJPIREFLC-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.57
Rot. Bonds7

About diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 102432514) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID102432514
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Namediethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1ccco1
InChIInChI=1S/C24H27NO6/c1-6-29-23(26)20-15(3)25(17-10-12-18(28-5)13-11-17)16(4)21(24(27)30-7-2)22(20)19-9-8-14-31-19/h8-14,22H,6-7H2,1-5H3
InChIKeyXVBGBPJPIREFLC-UHFFFAOYSA-N
XLogP4.57
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 1-(4-cyclopenta-1,3-dien-1-ylphenyl)-4-(furan-2-yl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 4921548
triethyl 1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,4,5-tricarboxylate
CID 102432516
cyclopenta-1,3-diene;diethyl 1-(4-cyclopenta-2,4-dien-1-ylphenyl)-4-(furan-2-yl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate;iron(2+)
CID 50918749
diethyl 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 21373629
5-O-ethyl 3-O-methyl (4S)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 748387
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360
ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 15306525
ethyl (2S,3S)-2-(furan-2-yl)-1-(4-methoxyphenyl)-4-oxo-3-phenylsulfanylazetidine-3-carboxylate
CID 11502727
ethyl (6R)-6-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8650259
5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate
CID 71723285
diethyl 2-formyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13469467
ethyl 4-(furan-2-yl)-6-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46675720

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (CID 102432514) is diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1ccco1.
What is the InChIKey of diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is XVBGBPJPIREFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-6-29-23(26)20-15(3)25(17-10-12-18(28-5)13-11-17)16(4)21(24(27)30-7-2)22(20)19-9-8-14-31-19/h8-14,22H,6-7H2,1-5H3.
What are the key properties of diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 425.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 102432514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).