(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate

C21H15N3O4 — CID 102286988

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C21H15N3O4/c25-19-10-11-20(26)24(19)28-21(27)15-6-4-14(5-7-15)16-8-9-18(23-13-16)17-3-1-2-12-22-17/h1-9,12-13H,10-11H2
InChIKeyXNYRYLRNKGXNPW-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.03
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate

(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate (PubChem CID 102286988) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate
PubChem CID102286988
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C21H15N3O4/c25-19-10-11-20(26)24(19)28-21(27)15-6-4-14(5-7-15)16-8-9-18(23-13-16)17-3-1-2-12-22-17/h1-9,12-13H,10-11H2
InChIKeyXNYRYLRNKGXNPW-UHFFFAOYSA-N
XLogP3.03
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
(1Z)-4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]-N-(3-methylbenzotriazol-3-ium-1-yl)benzenecarboximidate
CID 14970918
(2,5-dioxopyrrolidin-1-yl) 1-oxidopyridin-1-ium-3-carboxylate
CID 50739417
4-(6-pyridin-2-yl-3-pyridinyl)aniline
CID 129035516
4-[6-[5-(4-carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;iridium;2-phenylpyridine
CID 170523980
(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
CID 176648871
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine
CID 174842042
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
CID 123135219

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate (CID 102286988) is (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate is O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(-c3ccccn3)nc2)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate?
The InChIKey is XNYRYLRNKGXNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-19-10-11-20(26)24(19)28-21(27)15-6-4-14(5-7-15)16-8-9-18(23-13-16)17-3-1-2-12-22-17/h1-9,12-13H,10-11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate?
(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate has a molecular weight of 373.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate is sourced from PubChem (CID 102286988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).