N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

C15H19IN4O3 — CID 111042762

IUPACN-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.I
InChIInChI=1S/C15H18N4O3.HI/c1-21-12-6-4-11(5-7-12)19-15(16)18-9-8-17-14(20)13-3-2-10-22-13;/h2-7,10H,8-9H2,1H3,(H,17,20)(H3,16,18,19);1H
InChIKeyAKDVKBHSBURRHA-UHFFFAOYSA-N
MW430.25 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 111042762) has the molecular formula C15H19IN4O3 and a molecular weight of 430.25 g/mol. Its IUPAC name is N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID111042762
Molecular FormulaC15H19IN4O3
Molecular Weight430.25 g/mol
Exact Mass430.05
IUPAC NameN-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.I
InChIInChI=1S/C15H18N4O3.HI/c1-21-12-6-4-11(5-7-12)19-15(16)18-9-8-17-14(20)13-3-2-10-22-13;/h2-7,10H,8-9H2,1H3,(H,17,20)(H3,16,18,19);1H
InChIKeyAKDVKBHSBURRHA-UHFFFAOYSA-N
XLogP2.06
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 52.06
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'}

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Related Compounds

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042765
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111092007
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062881
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide
CID 110918638
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111720888
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (CID 111042762) is N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is COc1ccc(N/C(N)=N/CCNC(=O)c2ccco2)cc1.I.
What is the InChIKey of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is AKDVKBHSBURRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.HI/c1-21-12-6-4-11(5-7-12)19-15(16)18-9-8-17-14(20)13-3-2-10-22-13;/h2-7,10H,8-9H2,1H3,(H,17,20)(H3,16,18,19);1H.
What are the key properties of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 430.25 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111042762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).