N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline

C25H23N2O3P — CID 57403498

IUPACN-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H23N2O3P/c1-25(21-12-11-19-26-20-21,27-22-13-5-2-6-14-22)31(28,29-23-15-7-3-8-16-23)30-24-17-9-4-10-18-24/h2-20,27H,1H3
InChIKeyIORYKYZJWNIIGU-UHFFFAOYSA-N
MW430.44 g/mol
LogP6.72
Rot. Bonds8

About N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline

N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline (PubChem CID 57403498) has the molecular formula C25H23N2O3P and a molecular weight of 430.44 g/mol. Its IUPAC name is N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound NameN-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline
PubChem CID57403498
Molecular FormulaC25H23N2O3P
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H23N2O3P/c1-25(21-12-11-19-26-20-21,27-22-13-5-2-6-14-22)31(28,29-23-15-7-3-8-16-23)30-24-17-9-4-10-18-24/h2-20,27H,1H3
InChIKeyIORYKYZJWNIIGU-UHFFFAOYSA-N
XLogP6.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.44
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
CID 2430858
Diphenyl pyridin-3-ylphosphoramidate
CID 1612893
Cyclohexyl (4-(dimethylamino)phenyl)((phenylamino)(pyridin-3-yl)methyl)phosphinate
CID 3765529
Diphenyl (5-methyl-2-pyridinyl)amidophosphate
CID 258623
Bis(4-methylphenyl) pyridin-2-ylphosphoramidate
CID 258625
Dicyclohexyl ((phenylamino)(pyridin-3-yl)methyl)phosphonate
CID 3763139
Diphenyl (alpha-anilino-2-pyridylmethyl)phosphonate
CID 3253993
Bis(3-methylphenyl) 3-pyridinylamidophosphate
CID 1618574
Di-o-tolyl pyridin-2-ylphosphoramidate
CID 1912118
Di-m-tolyl (5-methylpyridin-2-yl)phosphoramidate
CID 1912896
2-[(E)-(diphenoxyphosphorylhydrazinylidene)methyl]pyridine
CID 90680283
N-bis(2-fluorophenoxy)phosphorylpyridin-3-amine
CID 1617207

Frequently Asked Questions

What is the IUPAC name of N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline?
The IUPAC name of N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline (CID 57403498) is N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline?
The canonical SMILES for N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline is CC(Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline?
The InChIKey is IORYKYZJWNIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O3P/c1-25(21-12-11-19-26-20-21,27-22-13-5-2-6-14-22)31(28,29-23-15-7-3-8-16-23)30-24-17-9-4-10-18-24/h2-20,27H,1H3.
What are the key properties of N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline?
N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline has a molecular weight of 430.44 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 57403498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).