methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate

C21H22FNO2 — CID 141008262

IUPACmethyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1(C)CNC(C)=C(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C21H22FNO2/c1-14-18(15-7-5-4-6-8-15)19(16-9-11-17(22)12-10-16)21(2,13-23-14)20(24)25-3/h4-12,19,23H,13H2,1-3H3
InChIKeyZCWCJCVTLMRUQT-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.12
Rot. Bonds3

About methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate

methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate (PubChem CID 141008262) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate
PubChem CID141008262
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Namemethyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1(C)CNC(C)=C(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C21H22FNO2/c1-14-18(15-7-5-4-6-8-15)19(16-9-11-17(22)12-10-16)21(2,13-23-14)20(24)25-3/h4-12,19,23H,13H2,1-3H3
InChIKeyZCWCJCVTLMRUQT-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate (CID 141008262) is methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate is COC(=O)C1(C)CNC(C)=C(c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate?
The InChIKey is ZCWCJCVTLMRUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-14-18(15-7-5-4-6-8-15)19(16-9-11-17(22)12-10-16)21(2,13-23-14)20(24)25-3/h4-12,19,23H,13H2,1-3H3.
What are the key properties of methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate?
methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate is sourced from PubChem (CID 141008262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).