3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide

C11H19IN4O2 — CID 111439289

IUPAC3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
SMILESC/N=C(\N)NCCCNC(=O)c1occc1C.I
InChIInChI=1S/C11H18N4O2.HI/c1-8-4-7-17-9(8)10(16)14-5-3-6-15-11(12)13-2;/h4,7H,3,5-6H2,1-2H3,(H,14,16)(H3,12,13,15);1H
InChIKeyYCSHUVIIFADAEQ-UHFFFAOYSA-N
MW366.20 g/mol
LogP0.86
Rot. Bonds5

About 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide

3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide (PubChem CID 111439289) has the molecular formula C11H19IN4O2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
PubChem CID111439289
Molecular FormulaC11H19IN4O2
Molecular Weight366.20 g/mol
Exact Mass366.06
IUPAC Name3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
SMILESC/N=C(\N)NCCCNC(=O)c1occc1C.I
InChIInChI=1S/C11H18N4O2.HI/c1-8-4-7-17-9(8)10(16)14-5-3-6-15-11(12)13-2;/h4,7H,3,5-6H2,1-2H3,(H,14,16)(H3,12,13,15);1H
InChIKeyYCSHUVIIFADAEQ-UHFFFAOYSA-N
XLogP0.86
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 50.86
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-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
3-methyl-N-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]furan-2-carboxamide;hydroiodide
CID 109471502
3-methyl-N-[3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propyl]furan-2-carboxamide
CID 111773264
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
3-methyl-N-[3-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]furan-2-carboxamide;hydroiodide
CID 111775513
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
N-[3-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111776817

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide (CID 111439289) is 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide is C/N=C(\N)NCCCNC(=O)c1occc1C.I.
What is the InChIKey of 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide?
The InChIKey is YCSHUVIIFADAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.HI/c1-8-4-7-17-9(8)10(16)14-5-3-6-15-11(12)13-2;/h4,7H,3,5-6H2,1-2H3,(H,14,16)(H3,12,13,15);1H.
What are the key properties of 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide?
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide has a molecular weight of 366.20 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111439289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).