methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate

C25H19N3O4 — CID 985397

IUPACmethyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C(=O)OC)n3)n2)n1
InChIInChI=1S/C25H19N3O4/c1-31-24(29)20-12-6-10-18(26-20)22-14-17(16-8-4-3-5-9-16)15-23(28-22)19-11-7-13-21(27-19)25(30)32-2/h3-15H,1-2H3
InChIKeyHMPLYAJCUYTDTR-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.45
Rot. Bonds5

About methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate

methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate (PubChem CID 985397) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate
PubChem CID985397
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Namemethyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C(=O)OC)n3)n2)n1
InChIInChI=1S/C25H19N3O4/c1-31-24(29)20-12-6-10-18(26-20)22-14-17(16-8-4-3-5-9-16)15-23(28-22)19-11-7-13-21(27-19)25(30)32-2/h3-15H,1-2H3
InChIKeyHMPLYAJCUYTDTR-UHFFFAOYSA-N
XLogP4.45
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate (CID 985397) is methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C(=O)OC)n3)n2)n1.
What is the InChIKey of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate?
The InChIKey is HMPLYAJCUYTDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-31-24(29)20-12-6-10-18(26-20)22-14-17(16-8-4-3-5-9-16)15-23(28-22)19-11-7-13-21(27-19)25(30)32-2/h3-15H,1-2H3.
What are the key properties of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate?
methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate has a molecular weight of 425.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-4-phenyl-2-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 985397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).