4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid

C14H15NO5 — CID 54045794

IUPAC4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=C(C)N=C(C)C(C(=O)O)C1c1ccoc1
InChIInChI=1S/C14H15NO5/c1-7-10(13(16)17)12(9-4-5-20-6-9)11(8(2)15-7)14(18)19-3/h4-6,10,12H,1-3H3,(H,16,17)
InChIKeyLPMUUZXQVGMZTI-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.99
Rot. Bonds3

About 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid

4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid (PubChem CID 54045794) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
PubChem CID54045794
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=C(C)N=C(C)C(C(=O)O)C1c1ccoc1
InChIInChI=1S/C14H15NO5/c1-7-10(13(16)17)12(9-4-5-20-6-9)11(8(2)15-7)14(18)19-3/h4-6,10,12H,1-3H3,(H,16,17)
InChIKeyLPMUUZXQVGMZTI-UHFFFAOYSA-N
XLogP1.99
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid (CID 54045794) is 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid is COC(=O)C1=C(C)N=C(C)C(C(=O)O)C1c1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The InChIKey is LPMUUZXQVGMZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7-10(13(16)17)12(9-4-5-20-6-9)11(8(2)15-7)14(18)19-3/h4-6,10,12H,1-3H3,(H,16,17).
What are the key properties of 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-5-methoxycarbonyl-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 54045794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).