3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide

C17H29Cl2IN6O — CID 111942200

IUPAC3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N(CC)CC)NCCNc1ncc(Cl)cc1Cl.I
InChIInChI=1S/C17H28Cl2N6O.HI/c1-4-20-17(22-8-7-15(26)25(5-2)6-3)23-10-9-21-16-14(19)11-13(18)12-24-16;/h11-12H,4-10H2,1-3H3,(H,21,24)(H2,20,22,23);1H
InChIKeyIYFRNTJCAMYSRL-UHFFFAOYSA-N
MW531.27 g/mol
LogP3.23
Rot. Bonds10

About 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide

3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide (PubChem CID 111942200) has the molecular formula C17H29Cl2IN6O and a molecular weight of 531.27 g/mol. Its IUPAC name is 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
PubChem CID111942200
Molecular FormulaC17H29Cl2IN6O
Molecular Weight531.27 g/mol
Exact Mass530.08
IUPAC Name3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N(CC)CC)NCCNc1ncc(Cl)cc1Cl.I
InChIInChI=1S/C17H28Cl2N6O.HI/c1-4-20-17(22-8-7-15(26)25(5-2)6-3)23-10-9-21-16-14(19)11-13(18)12-24-16;/h11-12H,4-10H2,1-3H3,(H,21,24)(H2,20,22,23);1H
InChIKeyIYFRNTJCAMYSRL-UHFFFAOYSA-N
XLogP3.23
TPSA81.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.27
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide with MolForge

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Related Compounds

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111405856
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472957
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651128
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929808
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922099
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972073
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969026
3-[[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 111667142
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
3-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109464207
3-[[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111852335
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
CID 111063524

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The IUPAC name of 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide (CID 111942200) is 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide is CCN/C(=N\CCC(=O)N(CC)CC)NCCNc1ncc(Cl)cc1Cl.I.
What is the InChIKey of 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The InChIKey is IYFRNTJCAMYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N6O.HI/c1-4-20-17(22-8-7-15(26)25(5-2)6-3)23-10-9-21-16-14(19)11-13(18)12-24-16;/h11-12H,4-10H2,1-3H3,(H,21,24)(H2,20,22,23);1H.
What are the key properties of 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide has a molecular weight of 531.27 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide is sourced from PubChem (CID 111942200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).