dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C20H27NO5 — CID 979325

IUPACdipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C20H27NO5/c1-10(2)24-19(22)16-13(6)21-14(7)17(20(23)25-11(3)4)18(16)15-9-8-12(5)26-15/h8-11,18,21H,1-7H3
InChIKeyQCPXMURVMOBTQR-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.73
Rot. Bonds5

About dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 979325) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID979325
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Namedipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C20H27NO5/c1-10(2)24-19(22)16-13(6)21-14(7)17(20(23)25-11(3)4)18(16)15-9-8-12(5)26-15/h8-11,18,21H,1-7H3
InChIKeyQCPXMURVMOBTQR-UHFFFAOYSA-N
XLogP3.73
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 979325) is dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is CC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)C(C(=O)OC(C)C)=C(C)N1.
What is the InChIKey of dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is QCPXMURVMOBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-10(2)24-19(22)16-13(6)21-14(7)17(20(23)25-11(3)4)18(16)15-9-8-12(5)26-15/h8-11,18,21H,1-7H3.
What are the key properties of dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 979325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).