2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C20H20IN5O2 — CID 111599985

IUPAC2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1cccnc1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H19N5O2.HI/c21-20(23-14-19(26)24-16-7-5-11-22-13-16)25-15-6-4-10-18(12-15)27-17-8-2-1-3-9-17;/h1-13H,14H2,(H,24,26)(H3,21,23,25);1H
InChIKeyCLSDWTOWPQPWLM-UHFFFAOYSA-N
MW489.32 g/mol
LogP3.86
Rot. Bonds6

About 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111599985) has the molecular formula C20H20IN5O2 and a molecular weight of 489.32 g/mol. Its IUPAC name is 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111599985
Molecular FormulaC20H20IN5O2
Molecular Weight489.32 g/mol
Exact Mass489.07
IUPAC Name2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1cccnc1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H19N5O2.HI/c21-20(23-14-19(26)24-16-7-5-11-22-13-16)25-15-6-4-10-18(12-15)27-17-8-2-1-3-9-17;/h1-13H,14H2,(H,24,26)(H3,21,23,25);1H
InChIKeyCLSDWTOWPQPWLM-UHFFFAOYSA-N
XLogP3.86
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.32
LogP ≤ 53.86
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-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111802898
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092990
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111599646
2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598749
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111597441
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093023
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092938

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111599985) is 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is I.N/C(=N\CC(=O)Nc1cccnc1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is CLSDWTOWPQPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.HI/c21-20(23-14-19(26)24-16-7-5-11-22-13-16)25-15-6-4-10-18(12-15)27-17-8-2-1-3-9-17;/h1-13H,14H2,(H,24,26)(H3,21,23,25);1H.
What are the key properties of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 489.32 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111599985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).