2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol

C24H22Cl2N6O2 — CID 87808166

IUPAC2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol
SMILESNN(c1ccc(CNc2ccc(Cl)nc2)cc1O)c1ccc(CNc2cccnc2Cl)cc1O
InChIInChI=1S/C24H22Cl2N6O2/c25-23-8-5-17(14-31-23)29-12-15-3-6-19(21(33)10-15)32(27)20-7-4-16(11-22(20)34)13-30-18-2-1-9-28-24(18)26/h1-11,14,29-30,33-34H,12-13,27H2
InChIKeyHVXZDDGSSBXXIE-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.43
Rot. Bonds8

About 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol

2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol (PubChem CID 87808166) has the molecular formula C24H22Cl2N6O2 and a molecular weight of 497.39 g/mol. Its IUPAC name is 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol
PubChem CID87808166
Molecular FormulaC24H22Cl2N6O2
Molecular Weight497.39 g/mol
Exact Mass496.12
IUPAC Name2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol
SMILESNN(c1ccc(CNc2ccc(Cl)nc2)cc1O)c1ccc(CNc2cccnc2Cl)cc1O
InChIInChI=1S/C24H22Cl2N6O2/c25-23-8-5-17(14-31-23)29-12-15-3-6-19(21(33)10-15)32(27)20-7-4-16(11-22(20)34)13-30-18-2-1-9-28-24(18)26/h1-11,14,29-30,33-34H,12-13,27H2
InChIKeyHVXZDDGSSBXXIE-UHFFFAOYSA-N
XLogP5.43
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol 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-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
3-[[(2-chloro-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 61319295
6-[[(2-chloro-3-pyridinyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 55013206
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
3-[3-[(6-chloro-3-pyridinyl)methylamino]-2-pyridinyl]-3-oxo-2-phenylpropanoic acid
CID 53233876
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43782408
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
[(2-chloro-3-pyridinyl)amino]methanol;ethane
CID 158340560
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 43676426

Frequently Asked Questions

What is the IUPAC name of 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol (CID 87808166) is 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol is NN(c1ccc(CNc2ccc(Cl)nc2)cc1O)c1ccc(CNc2cccnc2Cl)cc1O.
What is the InChIKey of 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol?
The InChIKey is HVXZDDGSSBXXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O2/c25-23-8-5-17(14-31-23)29-12-15-3-6-19(21(33)10-15)32(27)20-7-4-16(11-22(20)34)13-30-18-2-1-9-28-24(18)26/h1-11,14,29-30,33-34H,12-13,27H2.
What are the key properties of 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol?
2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol has a molecular weight of 497.39 g/mol, XLogP of 5.43, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-amino-4-[[(2-chloro-3-pyridinyl)amino]methyl]-2-hydroxyanilino]-5-[[(6-chloro-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 87808166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).