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

C26H20N2O4 — CID 102443545

IUPACmethyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)cc2-c2ccccn2)c(-c2ccccn2)c1
InChIInChI=1S/C26H20N2O4/c1-31-25(29)17-9-11-19(21(15-17)23-7-3-5-13-27-23)20-12-10-18(26(30)32-2)16-22(20)24-8-4-6-14-28-24/h3-16H,1-2H3
InChIKeyQVEKEWVGHAOCQQ-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.05
Rot. Bonds5

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

methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate (PubChem CID 102443545) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate
PubChem CID102443545
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Namemethyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)cc2-c2ccccn2)c(-c2ccccn2)c1
InChIInChI=1S/C26H20N2O4/c1-31-25(29)17-9-11-19(21(15-17)23-7-3-5-13-27-23)20-12-10-18(26(30)32-2)16-22(20)24-8-4-6-14-28-24/h3-16H,1-2H3
InChIKeyQVEKEWVGHAOCQQ-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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Related Compounds

6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid
CID 3922
Methyl quinoline-6-carboxylate
CID 736812
Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 71283262
Methyl isoquinoline-5-carboxylate
CID 313259
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
AMPD2 inhibitor 1
CID 91970654
AMPD2 Inhibitor
CID 91970656
Propyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 118737373

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate?
The IUPAC name of methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate (CID 102443545) is methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate.
What is the SMILES notation for methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate?
The canonical SMILES for methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate is COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2-c2ccccn2)c(-c2ccccn2)c1.
What is the InChIKey of methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate?
The InChIKey is QVEKEWVGHAOCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-31-25(29)17-9-11-19(21(15-17)23-7-3-5-13-27-23)20-12-10-18(26(30)32-2)16-22(20)24-8-4-6-14-28-24/h3-16H,1-2H3.
What are the key properties of methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate?
methyl 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-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 4-(4-methoxycarbonyl-2-pyridin-2-ylphenyl)-3-pyridin-2-ylbenzoate is sourced from PubChem (CID 102443545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).