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

C21H26FNO4 — CID 987035

IUPACdipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C21H26FNO4/c1-11(2)26-20(24)17-13(5)23-14(6)18(21(25)27-12(3)4)19(17)15-7-9-16(22)10-8-15/h7-12,19,23H,1-6H3
InChIKeyDXQVUVZRPUETIQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.96
Rot. Bonds5

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

dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 987035) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID987035
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Namedipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C21H26FNO4/c1-11(2)26-20(24)17-13(5)23-14(6)18(21(25)27-12(3)4)19(17)15-7-9-16(22)10-8-15/h7-12,19,23H,1-6H3
InChIKeyDXQVUVZRPUETIQ-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 987035) is dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)C(C(=O)OC(C)C)=C(C)N1.
What is the InChIKey of dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is DXQVUVZRPUETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4/c1-11(2)26-20(24)17-13(5)23-14(6)18(21(25)27-12(3)4)19(17)15-7-9-16(22)10-8-15/h7-12,19,23H,1-6H3.
What are the key properties of dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 375.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 987035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).