2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C20H28IN5O2 — CID 111388621

IUPAC2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C20H27N5O2.HI/c1-4-22-20(24-14-19(26)25-17-6-5-10-21-13-17)23-11-9-16-12-15(2)7-8-18(16)27-3;/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,25,26)(H2,22,23,24);1H
InChIKeyVNMLSAKSXCVIKW-UHFFFAOYSA-N
MW497.38 g/mol
LogP2.75
Rot. Bonds8

About 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111388621) has the molecular formula C20H28IN5O2 and a molecular weight of 497.38 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111388621
Molecular FormulaC20H28IN5O2
Molecular Weight497.38 g/mol
Exact Mass497.13
IUPAC Name2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C20H27N5O2.HI/c1-4-22-20(24-14-19(26)25-17-6-5-10-21-13-17)23-11-9-16-12-15(2)7-8-18(16)27-3;/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,25,26)(H2,22,23,24);1H
InChIKeyVNMLSAKSXCVIKW-UHFFFAOYSA-N
XLogP2.75
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.38
LogP ≤ 52.75
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-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111648744
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111389462
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111389362
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132
2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111889163
N-ethyl-4-[[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111389672
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111339269
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
2-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111562413

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111388621) is 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccnc1)NCCc1cc(C)ccc1OC.I.
What is the InChIKey of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is VNMLSAKSXCVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.HI/c1-4-22-20(24-14-19(26)25-17-6-5-10-21-13-17)23-11-9-16-12-15(2)7-8-18(16)27-3;/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,25,26)(H2,22,23,24);1H.
What are the key properties of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 497.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111388621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).