N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine

C23H20N3OP — CID 71520373

IUPACN-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESO=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)c1cccnc1
InChIInChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
InChIKeyOGXXKPFHNVXBOY-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.41
Rot. Bonds6

About N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine

N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine (PubChem CID 71520373) has the molecular formula C23H20N3OP and a molecular weight of 385.41 g/mol. Its IUPAC name is N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine
PubChem CID71520373
Molecular FormulaC23H20N3OP
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC NameN-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESO=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)c1cccnc1
InChIInChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
InChIKeyOGXXKPFHNVXBOY-UHFFFAOYSA-N
XLogP4.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.41
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-2-ylmethyl)pyridin-3-amine?
The IUPAC name of N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine (CID 71520373) is N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine is O=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)c1cccnc1.
What is the InChIKey of N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The InChIKey is OGXXKPFHNVXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2.
What are the key properties of N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine has a molecular weight of 385.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-N-(pyridin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 71520373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).