methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate

C26H20N2O4 — CID 122387098

IUPACmethyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccn2)c(-c2cc(C(=O)OC)ccc2-c2ccccn2)c1
InChIInChI=1S/C26H20N2O4/c1-31-25(29)17-9-11-19(23-7-3-5-13-27-23)21(15-17)22-16-18(26(30)32-2)10-12-20(22)24-8-4-6-14-28-24/h3-16H,1-2H3
InChIKeyQIXPIXVNJZQPAZ-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.05
Rot. Bonds5

About methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate

methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate (PubChem CID 122387098) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate
PubChem CID122387098
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Namemethyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccn2)c(-c2cc(C(=O)OC)ccc2-c2ccccn2)c1
InChIInChI=1S/C26H20N2O4/c1-31-25(29)17-9-11-19(23-7-3-5-13-27-23)21(15-17)22-16-18(26(30)32-2)10-12-20(22)24-8-4-6-14-28-24/h3-16H,1-2H3
InChIKeyQIXPIXVNJZQPAZ-UHFFFAOYSA-N
XLogP5.05
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate?
The IUPAC name of methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate (CID 122387098) is methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate.
What is the SMILES notation for methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate?
The canonical SMILES for methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate is COC(=O)c1ccc(-c2ccccn2)c(-c2cc(C(=O)OC)ccc2-c2ccccn2)c1.
What is the InChIKey of methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate?
The InChIKey is QIXPIXVNJZQPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-31-25(29)17-9-11-19(23-7-3-5-13-27-23)21(15-17)22-16-18(26(30)32-2)10-12-20(22)24-8-4-6-14-28-24/h3-16H,1-2H3.
What are the key properties of methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate?
methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate has a molecular weight of 424.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate is sourced from PubChem (CID 122387098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).