4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline

C26H32N3O2P — CID 3765529

IUPAC4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(=O)(OC2CCCCC2)C(Nc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C26H32N3O2P/c1-29(2)23-15-17-25(18-16-23)32(30,31-24-13-7-4-8-14-24)26(21-10-9-19-27-20-21)28-22-11-5-3-6-12-22/h3,5-6,9-12,15-20,24,26,28H,4,7-8,13-14H2,1-2H3
InChIKeyCHXUUZWXXVSHNQ-UHFFFAOYSA-N
MW449.54 g/mol
LogP6.21
Rot. Bonds8

About 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline

4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline (PubChem CID 3765529) has the molecular formula C26H32N3O2P and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline
PubChem CID3765529
Molecular FormulaC26H32N3O2P
Molecular Weight449.54 g/mol
Exact Mass449.22
IUPAC Name4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(=O)(OC2CCCCC2)C(Nc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C26H32N3O2P/c1-29(2)23-15-17-25(18-16-23)32(30,31-24-13-7-4-8-14-24)26(21-10-9-19-27-20-21)28-22-11-5-3-6-12-22/h3,5-6,9-12,15-20,24,26,28H,4,7-8,13-14H2,1-2H3
InChIKeyCHXUUZWXXVSHNQ-UHFFFAOYSA-N
XLogP6.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.54
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[di(propan-2-yloxy)phosphoryl-pyridin-3-ylmethyl]aniline
CID 2770174
Dicyclohexyl ((phenylamino)(pyridin-3-yl)methyl)phosphonate
CID 3763139
2-Methylpropyl [4-(dimethylamino)phenyl][(phenylamino)(pyridin-3-yl)methyl]phosphinate
CID 3782650
N-[diphenylphosphoryl(pyridin-3-yl)methyl]propan-1-amine
CID 71520578
N-[diethoxyphosphoryl(pyridin-3-yl)methyl]aniline
CID 5131167
Propan-2-yl [4-(dimethylamino)phenyl][(phenylamino)(pyridin-3-yl)methyl]phosphinate
CID 3824794
N-[diethoxyphosphoryl-(4-pyridin-4-ylphenyl)methyl]aniline
CID 56970163
N-(1-diphenoxyphosphoryl-1-pyridin-3-ylethyl)aniline
CID 57403498
2-diphenylphosphoryl-N-(pyridin-3-ylmethyl)ethanamine
CID 1908208
Diphenyl [anilino(pyridin-3-yl)methyl]phosphonate
CID 420756
N-[diethoxyphosphoryl(pyridin-4-yl)methyl]aniline
CID 15316813
Dibutyl [alpha-anilino-(quinolin-3-yl)methyl]phosphonate
CID 101544906

Frequently Asked Questions

What is the IUPAC name of 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline?
The IUPAC name of 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline (CID 3765529) is 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline is CN(C)c1ccc(P(=O)(OC2CCCCC2)C(Nc2ccccc2)c2cccnc2)cc1.
What is the InChIKey of 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline?
The InChIKey is CHXUUZWXXVSHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N3O2P/c1-29(2)23-15-17-25(18-16-23)32(30,31-24-13-7-4-8-14-24)26(21-10-9-19-27-20-21)28-22-11-5-3-6-12-22/h3,5-6,9-12,15-20,24,26,28H,4,7-8,13-14H2,1-2H3.
What are the key properties of 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline?
4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline has a molecular weight of 449.54 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[anilino(pyridin-3-yl)methyl]-cyclohexyloxyphosphoryl]-N,N-dimethylaniline is sourced from PubChem (CID 3765529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).