2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol

C23H33Cl2N3O3 — CID 14210576

IUPAC2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol
SMILESNc1c(Cl)cc(C(O)CNCCCCCCOCCCCc2ncccc2O)cc1Cl
InChIInChI=1S/C23H33Cl2N3O3/c24-18-14-17(15-19(25)23(18)26)22(30)16-27-10-4-1-2-5-12-31-13-6-3-8-20-21(29)9-7-11-28-20/h7,9,11,14-15,22,27,29-30H,1-6,8,10,12-13,16,26H2
InChIKeyJZBSZFICEZGOHP-UHFFFAOYSA-N
MW470.44 g/mol
LogP4.90
Rot. Bonds15

About 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol

2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol (PubChem CID 14210576) has the molecular formula C23H33Cl2N3O3 and a molecular weight of 470.44 g/mol. Its IUPAC name is 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol
PubChem CID14210576
Molecular FormulaC23H33Cl2N3O3
Molecular Weight470.44 g/mol
Exact Mass469.19
IUPAC Name2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol
SMILESNc1c(Cl)cc(C(O)CNCCCCCCOCCCCc2ncccc2O)cc1Cl
InChIInChI=1S/C23H33Cl2N3O3/c24-18-14-17(15-19(25)23(18)26)22(30)16-27-10-4-1-2-5-12-31-13-6-3-8-20-21(29)9-7-11-28-20/h7,9,11,14-15,22,27,29-30H,1-6,8,10,12-13,16,26H2
InChIKeyJZBSZFICEZGOHP-UHFFFAOYSA-N
XLogP4.90
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol 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

1-(4-amino-3,5-dichlorophenyl)-2-[6-[3-(6-amino-2-pyridinyl)propoxy]hexylamino]ethanol
CID 19854817
bis((1S)-1-(4-amino-3,5-dichlorophenyl)-2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethanol);(E)-but-2-enedioic acid
CID 6446658
1-(4-amino-3,5-dichlorophenyl)-2-[6-(2-pyridin-3-ylethoxy)hexylamino]ethanol;(E)-but-2-enedioic acid
CID 158752133
1-(4-amino-3,5-dichlorophenyl)-2-[6-[3-(furan-2-yl)propoxy]hexylamino]ethanol
CID 19996127
ethyl 4-[3-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]propyl]pyridine-2-carboxylate
CID 19854796
1-(4-amino-3,5-dichlorophenyl)-2-[6-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]hexylamino]ethanol
CID 19876753
2-[5-[3-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]propyl]-2-methyl-3-pyridinyl]acetic acid
CID 19854811
2-[2-[7-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]heptyl]phenyl]acetic acid
CID 23352639
2-(4-phenylmethoxyphenoxy)ethyl 6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexanoate
CID 23352681
6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexyl 2-(2-phenylphenoxy)acetate
CID 158221563
8-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-(1-phenylethyl)octanoic acid
CID 23352580
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
CID 5152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol?
The IUPAC name of 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol (CID 14210576) is 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol.
What is the SMILES notation for 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol?
The canonical SMILES for 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol is Nc1c(Cl)cc(C(O)CNCCCCCCOCCCCc2ncccc2O)cc1Cl.
What is the InChIKey of 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol?
The InChIKey is JZBSZFICEZGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33Cl2N3O3/c24-18-14-17(15-19(25)23(18)26)22(30)16-27-10-4-1-2-5-12-31-13-6-3-8-20-21(29)9-7-11-28-20/h7,9,11,14-15,22,27,29-30H,1-6,8,10,12-13,16,26H2.
What are the key properties of 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol?
2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol has a molecular weight of 470.44 g/mol, XLogP of 4.90, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexoxy]butyl]pyridin-3-ol is sourced from PubChem (CID 14210576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).