2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C15H20IN5O2 — CID 111035913

IUPAC2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)NCc1ccco1)NCCc1ccccn1
InChIInChI=1S/C15H19N5O2.HI/c16-15(18-8-6-12-4-1-2-7-17-12)20-11-14(21)19-10-13-5-3-9-22-13;/h1-5,7,9H,6,8,10-11H2,(H,19,21)(H3,16,18,20);1H
InChIKeyGTLMFYDFYYCIEH-UHFFFAOYSA-N
MW429.26 g/mol
LogP1.06
Rot. Bonds7

About 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111035913) has the molecular formula C15H20IN5O2 and a molecular weight of 429.26 g/mol. Its IUPAC name is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111035913
Molecular FormulaC15H20IN5O2
Molecular Weight429.26 g/mol
Exact Mass429.07
IUPAC Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)NCc1ccco1)NCCc1ccccn1
InChIInChI=1S/C15H19N5O2.HI/c16-15(18-8-6-12-4-1-2-7-17-12)20-11-14(21)19-10-13-5-3-9-22-13;/h1-5,7,9H,6,8,10-11H2,(H,19,21)(H3,16,18,20);1H
InChIKeyGTLMFYDFYYCIEH-UHFFFAOYSA-N
XLogP1.06
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111193485
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111193486
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037028
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 110914043
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
2-(isoquinolin-1-ylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111039336
2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111134399
N-[4-[[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 75532951
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111035913) is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is I.N/C(=N\CC(=O)NCc1ccco1)NCCc1ccccn1.
What is the InChIKey of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is GTLMFYDFYYCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.HI/c16-15(18-8-6-12-4-1-2-7-17-12)20-11-14(21)19-10-13-5-3-9-22-13;/h1-5,7,9H,6,8,10-11H2,(H,19,21)(H3,16,18,20);1H.
What are the key properties of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 429.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111035913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).