dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

C19H25NO5 — CID 7052982

IUPACdipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCC)[C@H]1c1ccco1
InChIInChI=1S/C19H25NO5/c1-5-9-24-18(21)15-12(3)20-13(4)16(19(22)25-10-6-2)17(15)14-8-7-11-23-14/h7-8,11,15,17H,5-6,9-10H2,1-4H3/t15?,17-/m1/s1
InChIKeyWPKPSDJXEZXZMY-OMOCHNIRSA-N
MW347.41 g/mol
LogP3.63
Rot. Bonds7

About dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 7052982) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID7052982
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namedipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCC)[C@H]1c1ccco1
InChIInChI=1S/C19H25NO5/c1-5-9-24-18(21)15-12(3)20-13(4)16(19(22)25-10-6-2)17(15)14-8-7-11-23-14/h7-8,11,15,17H,5-6,9-10H2,1-4H3/t15?,17-/m1/s1
InChIKeyWPKPSDJXEZXZMY-OMOCHNIRSA-N
XLogP3.63
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate (CID 7052982) is dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate is CCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCCC)[C@H]1c1ccco1.
What is the InChIKey of dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is WPKPSDJXEZXZMY-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H25NO5/c1-5-9-24-18(21)15-12(3)20-13(4)16(19(22)25-10-6-2)17(15)14-8-7-11-23-14/h7-8,11,15,17H,5-6,9-10H2,1-4H3/t15?,17-/m1/s1.
What are the key properties of dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (4R)-4-(furan-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 7052982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).