2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine

C16H19Cl2N5 — CID 111063528

IUPAC2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CCNc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C16H19Cl2N5/c1-10-5-11(2)7-13(6-10)23-16(19)21-4-3-20-15-14(18)8-12(17)9-22-15/h5-9H,3-4H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyXMQFNGKPLTVAAT-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.84
Rot. Bonds5

About 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine

2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine (PubChem CID 111063528) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine
PubChem CID111063528
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CCNc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C16H19Cl2N5/c1-10-5-11(2)7-13(6-10)23-16(19)21-4-3-20-15-14(18)8-12(17)9-22-15/h5-9H,3-4H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyXMQFNGKPLTVAAT-UHFFFAOYSA-N
XLogP3.84
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine 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-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
CID 111063524
1-(3,5-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111073144
N'-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 111063564
2-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111024765
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094961
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922099
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111698502
6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
1-(3,5-dimethylphenyl)-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032052

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine?
The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine (CID 111063528) is 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine is Cc1cc(C)cc(N/C(N)=N/CCNc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine?
The InChIKey is XMQFNGKPLTVAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-10-5-11(2)7-13(6-10)23-16(19)21-4-3-20-15-14(18)8-12(17)9-22-15/h5-9H,3-4H2,1-2H3,(H,20,22)(H3,19,21,23).
What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine?
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine has a molecular weight of 352.27 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-(3,5-dimethylphenyl)guanidine is sourced from PubChem (CID 111063528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).