3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine

C20H17N5P2 — CID 87734619

IUPAC3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine
SMILESc1cncc(P(NP(c2cccnc2)c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C20H17N5P2/c1-5-17(13-21-9-1)26(18-6-2-10-22-14-18)25-27(19-7-3-11-23-15-19)20-8-4-12-24-16-20/h1-16,25H
InChIKeyUNVVUKHWJPRYSQ-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.25
Rot. Bonds6

About 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine

3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine (PubChem CID 87734619) has the molecular formula C20H17N5P2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine.

Molecular Properties

Compound Name3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine
PubChem CID87734619
Molecular FormulaC20H17N5P2
Molecular Weight389.34 g/mol
Exact Mass389.10
IUPAC Name3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine
SMILESc1cncc(P(NP(c2cccnc2)c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C20H17N5P2/c1-5-17(13-21-9-1)26(18-6-2-10-22-14-18)25-27(19-7-3-11-23-15-19)20-8-4-12-24-16-20/h1-16,25H
InChIKeyUNVVUKHWJPRYSQ-UHFFFAOYSA-N
XLogP2.25
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185721
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185996
phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane
CID 87929874
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-fluoropyridin-3-amine
CID 141274626
N-bromopyridin-3-amine
CID 87128938
pyridin-3-ylastatine
CID 140653645
3-(18F)fluoropyridine
CID 24871782
pyridin-3-olate
CID 14387722
3-bromopyridine
CID 143579676
pyridin-3-ylmercury
CID 163821117

Frequently Asked Questions

What is the IUPAC name of 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine?
The IUPAC name of 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine (CID 87734619) is 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine.
What is the SMILES notation for 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine?
The canonical SMILES for 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine is c1cncc(P(NP(c2cccnc2)c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine?
The InChIKey is UNVVUKHWJPRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5P2/c1-5-17(13-21-9-1)26(18-6-2-10-22-14-18)25-27(19-7-3-11-23-15-19)20-8-4-12-24-16-20/h1-16,25H.
What are the key properties of 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine?
3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine has a molecular weight of 389.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine is sourced from PubChem (CID 87734619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).