diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

C19H26N2O5 — CID 57262096

IUPACdiethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1C1(C)C=CC=CN1O
InChIInChI=1S/C19H26N2O5/c1-6-25-17(22)14-12(3)20-13(4)15(18(23)26-7-2)16(14)19(5)10-8-9-11-21(19)24/h8-11,14,16,24H,6-7H2,1-5H3
InChIKeyUFGUFCJHDXAICM-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.63
Rot. Bonds5

About diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 57262096) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID57262096
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namediethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1C1(C)C=CC=CN1O
InChIInChI=1S/C19H26N2O5/c1-6-25-17(22)14-12(3)20-13(4)15(18(23)26-7-2)16(14)19(5)10-8-9-11-21(19)24/h8-11,14,16,24H,6-7H2,1-5H3
InChIKeyUFGUFCJHDXAICM-UHFFFAOYSA-N
XLogP2.63
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-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

5-O-ethyl 3-O-methyl 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54497590
diethyl 4-(2,4-difluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 91937169
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
diethyl 4-(2-fluoro-4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 91062446
diethyl 4-(3-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 78478429
diethyl 2,6-dimethyl-4-(6-methyl-1-oxidopyridin-1-ium-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 54224436
diethyl (4R)-2,6-dimethyl-4-(5-nitrothiophen-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 7177289
diethyl 4-(1-benzothiophen-3-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 90915735
(2R)-2-amino-2-[[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-3,4-dihydropyridine-4-carbonyl]amino]pentanedioic acid
CID 90927249
4-O-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-O,5-O-diethyl 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate
CID 74686162
diethyl 4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-2,3-dicarboxylate
CID 134093822
ethyl 2,2-dimethyl-4-oxo-1-propan-2-ylazetidine-3-carboxylate
CID 11310404

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate (CID 57262096) is diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1C1(C)C=CC=CN1O.
What is the InChIKey of diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is UFGUFCJHDXAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-6-25-17(22)14-12(3)20-13(4)15(18(23)26-7-2)16(14)19(5)10-8-9-11-21(19)24/h8-11,14,16,24H,6-7H2,1-5H3.
What are the key properties of diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate?
diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(1-hydroxy-2-methyl-2-pyridinyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 57262096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).