N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine

C22H18N3OP — CID 71520372

IUPACN-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine
SMILESO=P(c1ccccc1)(c1ccccc1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H18N3OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(19-9-7-15-23-17-19)20-10-8-16-24-18-20/h1-18H
InChIKeyLQVYUDPCNNIYBD-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.54
Rot. Bonds5

About N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine

N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine (PubChem CID 71520372) has the molecular formula C22H18N3OP and a molecular weight of 371.38 g/mol. Its IUPAC name is N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine
PubChem CID71520372
Molecular FormulaC22H18N3OP
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC NameN-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine
SMILESO=P(c1ccccc1)(c1ccccc1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H18N3OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(19-9-7-15-23-17-19)20-10-8-16-24-18-20/h1-18H
InChIKeyLQVYUDPCNNIYBD-UHFFFAOYSA-N
XLogP4.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine?
The IUPAC name of N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine (CID 71520372) is N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine.
What is the SMILES notation for N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine?
The canonical SMILES for N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine is O=P(c1ccccc1)(c1ccccc1)N(c1cccnc1)c1cccnc1.
What is the InChIKey of N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine?
The InChIKey is LQVYUDPCNNIYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N3OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(19-9-7-15-23-17-19)20-10-8-16-24-18-20/h1-18H.
What are the key properties of N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine?
N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine has a molecular weight of 371.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-N-pyridin-3-ylpyridin-3-amine is sourced from PubChem (CID 71520372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).