dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate

C21H24FNO4 — CID 1295812

IUPACdimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1cccc(F)c1
InChIInChI=1S/C21H24FNO4/c1-26-20(24)17-12-23(16-9-4-3-5-10-16)13-18(21(25)27-2)19(17)14-7-6-8-15(22)11-14/h6-8,11-13,16,19H,3-5,9-10H2,1-2H3
InChIKeyQDWDUBCARJBUFL-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.67
Rot. Bonds4

About dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1295812) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1295812
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Namedimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1cccc(F)c1
InChIInChI=1S/C21H24FNO4/c1-26-20(24)17-12-23(16-9-4-3-5-10-16)13-18(21(25)27-2)19(17)14-7-6-8-15(22)11-14/h6-8,11-13,16,19H,3-5,9-10H2,1-2H3
InChIKeyQDWDUBCARJBUFL-UHFFFAOYSA-N
XLogP3.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10620479
Dimethyl 1-benzyl-4-(2,5-difluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1336676
1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 1073796
Dimethyl 1-butyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 2195084
1-Ethyl-4-m-tolyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 614266
Dimethyl 4-(biphenyl-4-yl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1123517
Dimethyl 4-(3,4-difluorophenyl)-1-(4-methylbenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3692778
Dimethyl 1-(1-adamantylmethyl)-4-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 5026049
Dimethyl 1-(2-methoxyethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 2168053
Dimethyl 4-(3,4-difluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 607322
diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1015745
Dimethyl 1-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 1043742

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate (CID 1295812) is dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1cccc(F)c1.
What is the InChIKey of dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is QDWDUBCARJBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-26-20(24)17-12-23(16-9-4-3-5-10-16)13-18(21(25)27-2)19(17)14-7-6-8-15(22)11-14/h6-8,11-13,16,19H,3-5,9-10H2,1-2H3.
What are the key properties of dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 373.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1295812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).