bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone

C23H14N8O — CID 102138252

IUPACbis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C2(c3ccccn3)N=N2)n1)c1cccc(C2(c3ccccn3)N=N2)n1
InChIInChI=1S/C23H14N8O/c32-21(15-7-5-11-19(26-15)22(28-29-22)17-9-1-3-13-24-17)16-8-6-12-20(27-16)23(30-31-23)18-10-2-4-14-25-18/h1-14H
InChIKeyNTWWLOSBAHRZSD-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.83
Rot. Bonds6

About bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone

bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone (PubChem CID 102138252) has the molecular formula C23H14N8O and a molecular weight of 418.42 g/mol. Its IUPAC name is bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Namebis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone
PubChem CID102138252
Molecular FormulaC23H14N8O
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Namebis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C2(c3ccccn3)N=N2)n1)c1cccc(C2(c3ccccn3)N=N2)n1
InChIInChI=1S/C23H14N8O/c32-21(15-7-5-11-19(26-15)22(28-29-22)17-9-1-3-13-24-17)16-8-6-12-20(27-16)23(30-31-23)18-10-2-4-14-25-18/h1-14H
InChIKeyNTWWLOSBAHRZSD-UHFFFAOYSA-N
XLogP3.83
TPSA118.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone?
The IUPAC name of bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone (CID 102138252) is bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone.
What is the SMILES notation for bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone?
The canonical SMILES for bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone is O=C(c1cccc(C2(c3ccccn3)N=N2)n1)c1cccc(C2(c3ccccn3)N=N2)n1.
What is the InChIKey of bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone?
The InChIKey is NTWWLOSBAHRZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N8O/c32-21(15-7-5-11-19(26-15)22(28-29-22)17-9-1-3-13-24-17)16-8-6-12-20(27-16)23(30-31-23)18-10-2-4-14-25-18/h1-14H.
What are the key properties of bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone?
bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone has a molecular weight of 418.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-(3-pyridin-2-yldiazirin-3-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 102138252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).