dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate

C17H19NO4 — CID 610953

IUPACdimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cccc(C)c1
InChIInChI=1S/C17H19NO4/c1-11-6-5-7-12(8-11)15-13(16(19)21-3)9-18(2)10-14(15)17(20)22-4/h5-10,15H,1-4H3
InChIKeyRCKNSFNYAFHSKT-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.14
Rot. Bonds3

About dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 610953) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID610953
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namedimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cccc(C)c1
InChIInChI=1S/C17H19NO4/c1-11-6-5-7-12(8-11)15-13(16(19)21-3)9-18(2)10-14(15)17(20)22-4/h5-10,15H,1-4H3
InChIKeyRCKNSFNYAFHSKT-UHFFFAOYSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-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

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate (CID 610953) is dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cccc(C)c1.
What is the InChIKey of dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is RCKNSFNYAFHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-6-5-7-12(8-11)15-13(16(19)21-3)9-18(2)10-14(15)17(20)22-4/h5-10,15H,1-4H3.
What are the key properties of dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 610953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).