4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid

C13H13NO5 — CID 90469792

IUPAC4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=CC(c2ccco2)C(C(=O)O)=C(C)N1
InChIInChI=1S/C13H13NO5/c1-7-11(12(15)16)8(10-4-3-5-19-10)6-9(14-7)13(17)18-2/h3-6,8,14H,1-2H3,(H,15,16)
InChIKeyDZFBUIQVKUOSPW-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.38
Rot. Bonds3

About 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid

4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 90469792) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid
PubChem CID90469792
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=CC(c2ccco2)C(C(=O)O)=C(C)N1
InChIInChI=1S/C13H13NO5/c1-7-11(12(15)16)8(10-4-3-5-19-10)6-9(14-7)13(17)18-2/h3-6,8,14H,1-2H3,(H,15,16)
InChIKeyDZFBUIQVKUOSPW-UHFFFAOYSA-N
XLogP1.38
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-yl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 19856685
5-O-ethyl 3-O-methyl (4S)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 748387
methyl 4-(furan-2-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 4047552
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 15306525
methyl 7-(furan-2-yl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2994533
methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7462474
methyl (7R)-7-(furan-2-yl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135759563
dimethyl (4S)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 6921053
propan-2-yl (4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1161319
diethyl 2-formyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13469467

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid (CID 90469792) is 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid is COC(=O)C1=CC(c2ccco2)C(C(=O)O)=C(C)N1.
What is the InChIKey of 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is DZFBUIQVKUOSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-7-11(12(15)16)8(10-4-3-5-19-10)6-9(14-7)13(17)18-2/h3-6,8,14H,1-2H3,(H,15,16).
What are the key properties of 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid?
4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 90469792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).