5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide

C19H19N4OP — CID 56695362

IUPAC5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide
SMILESO=P1(c2ccccc2)CN(c2ccccn2)CN(c2ccccn2)C1
InChIInChI=1S/C19H19N4OP/c24-25(17-8-2-1-3-9-17)15-22(18-10-4-6-12-20-18)14-23(16-25)19-11-5-7-13-21-19/h1-13H,14-16H2
InChIKeyWGGWYIDITIXACS-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.36
Rot. Bonds3

About 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide

5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide (PubChem CID 56695362) has the molecular formula C19H19N4OP and a molecular weight of 350.36 g/mol. Its IUPAC name is 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide.

Molecular Properties

Compound Name5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide
PubChem CID56695362
Molecular FormulaC19H19N4OP
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide
SMILESO=P1(c2ccccc2)CN(c2ccccn2)CN(c2ccccn2)C1
InChIInChI=1S/C19H19N4OP/c24-25(17-8-2-1-3-9-17)15-22(18-10-4-6-12-20-18)14-23(16-25)19-11-5-7-13-21-19/h1-13H,14-16H2
InChIKeyWGGWYIDITIXACS-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
CID 22639462
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
2-(3-pyridin-2-yl-2H-imidazol-1-yl)pyridine;hydrochloride
CID 173112837
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
CID 123973526

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide?
The IUPAC name of 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide (CID 56695362) is 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide.
What is the SMILES notation for 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide?
The canonical SMILES for 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide is O=P1(c2ccccc2)CN(c2ccccn2)CN(c2ccccn2)C1.
What is the InChIKey of 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide?
The InChIKey is WGGWYIDITIXACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N4OP/c24-25(17-8-2-1-3-9-17)15-22(18-10-4-6-12-20-18)14-23(16-25)19-11-5-7-13-21-19/h1-13H,14-16H2.
What are the key properties of 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide?
5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide has a molecular weight of 350.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-dipyridin-2-yl-1,3,5λ5-diazaphosphinane 5-oxide is sourced from PubChem (CID 56695362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).