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

C17H20Cl2IN5O — CID 111055650

IUPACN-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCC(N/C(N)=N/CCNC(=O)c1cccnc1)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C17H19Cl2N5O.HI/c1-11(14-5-4-13(18)9-15(14)19)24-17(20)23-8-7-22-16(25)12-3-2-6-21-10-12;/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H3,20,23,24);1H
InChIKeyNWFLEHZETDZVMZ-UHFFFAOYSA-N
MW508.19 g/mol
LogP3.40
Rot. Bonds6

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

N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (PubChem CID 111055650) has the molecular formula C17H20Cl2IN5O and a molecular weight of 508.19 g/mol. Its IUPAC name is N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
PubChem CID111055650
Molecular FormulaC17H20Cl2IN5O
Molecular Weight508.19 g/mol
Exact Mass507.01
IUPAC NameN-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCC(N/C(N)=N/CCNC(=O)c1cccnc1)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C17H19Cl2N5O.HI/c1-11(14-5-4-13(18)9-15(14)19)24-17(20)23-8-7-22-16(25)12-3-2-6-21-10-12;/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H3,20,23,24);1H
InChIKeyNWFLEHZETDZVMZ-UHFFFAOYSA-N
XLogP3.40
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.19
LogP ≤ 53.40
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-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111310205
N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]-4-fluorobenzamide
CID 138997614
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111802911
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023048
tert-butyl N-[3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]propyl]carbamate;hydroiodide
CID 111044747
N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055564
tert-butyl N-[4-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]butyl]carbamate;hydroiodide
CID 110027016
tert-butyl 3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]propanoate
CID 111804944
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055780
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111802421
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062162

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (CID 111055650) is N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is CC(N/C(N)=N/CCNC(=O)c1cccnc1)c1ccc(Cl)cc1Cl.I.
What is the InChIKey of N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The InChIKey is NWFLEHZETDZVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O.HI/c1-11(14-5-4-13(18)9-15(14)19)24-17(20)23-8-7-22-16(25)12-3-2-6-21-10-12;/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H3,20,23,24);1H.
What are the key properties of N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide has a molecular weight of 508.19 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111055650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).