dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate

C24H25NO4 — CID 1123517

IUPACdimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25NO4/c1-15-20(23(26)28-4)22(21(24(27)29-5)16(2)25(15)3)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-14,22H,1-5H3
InChIKeyKDYRDHHZIJSBLT-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.28
Rot. Bonds4

About dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1123517) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1123517
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namedimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25NO4/c1-15-20(23(26)28-4)22(21(24(27)29-5)16(2)25(15)3)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-14,22H,1-5H3
InChIKeyKDYRDHHZIJSBLT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1123517) is dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is KDYRDHHZIJSBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-15-20(23(26)28-4)22(21(24(27)29-5)16(2)25(15)3)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-14,22H,1-5H3.
What are the key properties of dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,6-trimethyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1123517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).