dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C17H23NO4 — CID 2874327

IUPACdimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CC=CCC1
InChIInChI=1S/C17H23NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-6,12,15,18H,7-9H2,1-4H3
InChIKeyQVVHVHAKOYPDKY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.46
Rot. Bonds3

About dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2874327) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2874327
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namedimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CC=CCC1
InChIInChI=1S/C17H23NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-6,12,15,18H,7-9H2,1-4H3
InChIKeyQVVHVHAKOYPDKY-UHFFFAOYSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
CID 101991
Diethyl 4-cyclohexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2755038
3,5-Dimethoxycarbonyl-2,6-dimethyl-4-propyl-1,4-dihydropyridine
CID 3466940
Dimethyl 4-isopropyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 4644957
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10493084
5-O-ethyl 3-O-methyl 4-(2,6-dimethylhept-5-enyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10570716
Diethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 90371743
Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 216402
4-Nonyl-3,5-diethoxycarbonyl-1,4-dihydro-2,6-dimethylpyridine
CID 126846
4-Dodecyl-3,5-diethoxycarbonyl-1,4-dihydro-2,6-dimethylpyridine
CID 126847
Dimethyl 4-isobutyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11403277
Dimethyl 4-cyclohexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 3627259

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 2874327) is dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CC=CCC1.
What is the InChIKey of dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is QVVHVHAKOYPDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-6,12,15,18H,7-9H2,1-4H3.
What are the key properties of dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-cyclohex-3-en-1-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2874327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).