N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide

C19H24Cl2IN5O — CID 111310205

IUPACN-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)NC(C)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C19H23Cl2N5O.HI/c1-3-23-19(26-13(2)16-7-6-15(20)11-17(16)21)25-10-9-24-18(27)14-5-4-8-22-12-14;/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,27)(H2,23,25,26);1H
InChIKeyHMLWSRLYMRNIIV-UHFFFAOYSA-N
MW536.25 g/mol
LogP4.05
Rot. Bonds7

About N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide

N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (PubChem CID 111310205) has the molecular formula C19H24Cl2IN5O and a molecular weight of 536.25 g/mol. Its IUPAC name is N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
PubChem CID111310205
Molecular FormulaC19H24Cl2IN5O
Molecular Weight536.25 g/mol
Exact Mass535.04
IUPAC NameN-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)NC(C)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C19H23Cl2N5O.HI/c1-3-23-19(26-13(2)16-7-6-15(20)11-17(16)21)25-10-9-24-18(27)14-5-4-8-22-12-14;/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,27)(H2,23,25,26);1H
InChIKeyHMLWSRLYMRNIIV-UHFFFAOYSA-N
XLogP4.05
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.25
LogP ≤ 54.05
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055650
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111000715
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111234908
1-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide
CID 111310127
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111310733
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111310731
N-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111883050
N-[2-[[N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111131763
N-[2-[[[1-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111319745
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111004866
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111310213

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (CID 111310205) is N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is CCN/C(=N\CCNC(=O)c1cccnc1)NC(C)c1ccc(Cl)cc1Cl.I.
What is the InChIKey of N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The InChIKey is HMLWSRLYMRNIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O.HI/c1-3-23-19(26-13(2)16-7-6-15(20)11-17(16)21)25-10-9-24-18(27)14-5-4-8-22-12-14;/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,27)(H2,23,25,26);1H.
What are the key properties of N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide has a molecular weight of 536.25 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111310205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).