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

C14H21NO4 — CID 4644957

IUPACdimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(C)C
InChIInChI=1S/C14H21NO4/c1-7(2)10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-6/h7,10,15H,1-6H3
InChIKeyCMUCPTWZQPTCRJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.76
Rot. Bonds3

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

dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 4644957) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID4644957
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namedimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(C)C
InChIInChI=1S/C14H21NO4/c1-7(2)10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-6/h7,10,15H,1-6H3
InChIKeyCMUCPTWZQPTCRJ-UHFFFAOYSA-N
XLogP1.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 2,6-dimethyl-4-propan-2-yl-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

3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
CID 12446
Hantzsch ester
CID 70849
3,5-Diethyl 4-ethyl-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 70857
3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic Acid
CID 168683
Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 87116
2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 2818324
3-O-methyl 5-O-(2-methylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743053
Dimethyl 4-(3-cyclohexen-1-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2874327
Diethyl 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
CID 101991
Ethyl Methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10610884
3-O-ethyl 5-O-(2-methylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14743054
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-isopropyl-2,6-dimethyl-, diethyl ester
CID 619873

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 4644957) is dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(C)C.
What is the InChIKey of dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is CMUCPTWZQPTCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-7(2)10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-6/h7,10,15H,1-6H3.
What are the key properties of dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 4644957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).