dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate

C24H25NO4 — CID 21287654

IUPACdimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2C)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C24H25NO4/c1-15-11-9-10-14-19(15)25-16(2)20(23(26)28-4)22(18-12-7-6-8-13-18)21(17(25)3)24(27)29-5/h6-14,22H,1-5H3
InChIKeyMPFHENOIEKNBEM-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.49
Rot. Bonds4

About dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 21287654) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID21287654
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namedimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2C)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C24H25NO4/c1-15-11-9-10-14-19(15)25-16(2)20(23(26)28-4)22(18-12-7-6-8-13-18)21(17(25)3)24(27)29-5/h6-14,22H,1-5H3
InChIKeyMPFHENOIEKNBEM-UHFFFAOYSA-N
XLogP4.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 21287654) is dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(c2ccccc2C)C(C)=C(C(=O)OC)C1c1ccccc1.
What is the InChIKey of dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is MPFHENOIEKNBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-15-11-9-10-14-19(15)25-16(2)20(23(26)28-4)22(18-12-7-6-8-13-18)21(17(25)3)24(27)29-5/h6-14,22H,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-1-(2-methylphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 21287654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).