N-diphenylphosphoryl-6-methylpyridin-2-amine

C18H17N2OP — CID 832984

IUPACN-diphenylphosphoryl-6-methylpyridin-2-amine
SMILESCc1cccc(NP(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H17N2OP/c1-15-9-8-14-18(19-15)20-22(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3,(H,19,20,21)
InChIKeyBEHKOZZYICGBEP-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.73
Rot. Bonds4

About N-diphenylphosphoryl-6-methylpyridin-2-amine

N-diphenylphosphoryl-6-methylpyridin-2-amine (PubChem CID 832984) has the molecular formula C18H17N2OP and a molecular weight of 308.32 g/mol. Its IUPAC name is N-diphenylphosphoryl-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-6-methylpyridin-2-amine
PubChem CID832984
Molecular FormulaC18H17N2OP
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC NameN-diphenylphosphoryl-6-methylpyridin-2-amine
SMILESCc1cccc(NP(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H17N2OP/c1-15-9-8-14-18(19-15)20-22(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3,(H,19,20,21)
InChIKeyBEHKOZZYICGBEP-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-6-methylpyridin-2-amine?
The IUPAC name of N-diphenylphosphoryl-6-methylpyridin-2-amine (CID 832984) is N-diphenylphosphoryl-6-methylpyridin-2-amine.
What is the SMILES notation for N-diphenylphosphoryl-6-methylpyridin-2-amine?
The canonical SMILES for N-diphenylphosphoryl-6-methylpyridin-2-amine is Cc1cccc(NP(=O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-diphenylphosphoryl-6-methylpyridin-2-amine?
The InChIKey is BEHKOZZYICGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2OP/c1-15-9-8-14-18(19-15)20-22(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3,(H,19,20,21).
What are the key properties of N-diphenylphosphoryl-6-methylpyridin-2-amine?
N-diphenylphosphoryl-6-methylpyridin-2-amine has a molecular weight of 308.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-6-methylpyridin-2-amine is sourced from PubChem (CID 832984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).