N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide

C9H15IN4O2 — CID 110914716

IUPACN-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESC/N=C(\N)NCCNC(=O)c1ccco1.I
InChIInChI=1S/C9H14N4O2.HI/c1-11-9(10)13-5-4-12-8(14)7-3-2-6-15-7;/h2-3,6H,4-5H2,1H3,(H,12,14)(H3,10,11,13);1H
InChIKeyOYNMICGLTYKXGK-UHFFFAOYSA-N
MW338.15 g/mol
LogP0.16
Rot. Bonds4

About N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 110914716) has the molecular formula C9H15IN4O2 and a molecular weight of 338.15 g/mol. Its IUPAC name is N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID110914716
Molecular FormulaC9H15IN4O2
Molecular Weight338.15 g/mol
Exact Mass338.02
IUPAC NameN-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESC/N=C(\N)NCCNC(=O)c1ccco1.I
InChIInChI=1S/C9H14N4O2.HI/c1-11-9(10)13-5-4-12-8(14)7-3-2-6-15-7;/h2-3,6H,4-5H2,1H3,(H,12,14)(H3,10,11,13);1H
InChIKeyOYNMICGLTYKXGK-UHFFFAOYSA-N
XLogP0.16
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 50.16
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-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042845
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111225967
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 56801664
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111174405

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide (CID 110914716) is N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide is C/N=C(\N)NCCNC(=O)c1ccco1.I.
What is the InChIKey of N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is OYNMICGLTYKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2.HI/c1-11-9(10)13-5-4-12-8(14)7-3-2-6-15-7;/h2-3,6H,4-5H2,1H3,(H,12,14)(H3,10,11,13);1H.
What are the key properties of N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 338.15 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 110914716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).