N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine

C23H20N3OP — CID 71719150

IUPACN-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine
SMILESO=P(NCc1cccnc1-c1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N3OP/c27-28(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-18-20-10-8-16-25-23(20)19-9-7-15-24-17-19/h1-17H,18H2,(H,26,27)
InChIKeyYNZQNBOSAUGHEZ-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.16
Rot. Bonds6

About N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine

N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine (PubChem CID 71719150) has the molecular formula C23H20N3OP and a molecular weight of 385.41 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine
PubChem CID71719150
Molecular FormulaC23H20N3OP
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC NameN-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine
SMILESO=P(NCc1cccnc1-c1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N3OP/c27-28(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-18-20-10-8-16-25-23(20)19-9-7-15-24-17-19/h1-17H,18H2,(H,26,27)
InChIKeyYNZQNBOSAUGHEZ-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-1-(2-pyridin-3-yl-3-pyridinyl)methanamine?
The IUPAC name of N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine (CID 71719150) is N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine is O=P(NCc1cccnc1-c1cccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine?
The InChIKey is YNZQNBOSAUGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3OP/c27-28(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-18-20-10-8-16-25-23(20)19-9-7-15-24-17-19/h1-17H,18H2,(H,26,27).
What are the key properties of N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine?
N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine has a molecular weight of 385.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-(2-pyridin-3-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 71719150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).