N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C24H22N3OP — CID 71520487

IUPACN-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESO=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H22N3OP/c28-29(23-13-3-1-4-14-23,24-15-5-2-6-16-24)27(19-21-11-7-9-17-25-21)20-22-12-8-10-18-26-22/h1-18H,19-20H2
InChIKeyDQLNXKOHYMLNQF-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.41
Rot. Bonds7

About N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 71520487) has the molecular formula C24H22N3OP and a molecular weight of 399.43 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID71520487
Molecular FormulaC24H22N3OP
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC NameN-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESO=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H22N3OP/c28-29(23-13-3-1-4-14-23,24-15-5-2-6-16-24)27(19-21-11-7-9-17-25-21)20-22-12-8-10-18-26-22/h1-18H,19-20H2
InChIKeyDQLNXKOHYMLNQF-UHFFFAOYSA-N
XLogP4.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
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-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 71520487) is N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is O=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is DQLNXKOHYMLNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3OP/c28-29(23-13-3-1-4-14-23,24-15-5-2-6-16-24)27(19-21-11-7-9-17-25-21)20-22-12-8-10-18-26-22/h1-18H,19-20H2.
What are the key properties of N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 399.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 71520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).