2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C21H27IN6O — CID 111341312

IUPAC2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCCCn1ccc2ccccc21.I
InChIInChI=1S/C21H26N6O.HI/c1-2-23-21(25-16-20(28)26-18-8-5-11-22-15-18)24-12-6-13-27-14-10-17-7-3-4-9-19(17)27;/h3-5,7-11,14-15H,2,6,12-13,16H2,1H3,(H,26,28)(H2,23,24,25);1H
InChIKeyCOAXBSWJFBXYHK-UHFFFAOYSA-N
MW506.39 g/mol
LogP3.24
Rot. Bonds8

About 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111341312) has the molecular formula C21H27IN6O and a molecular weight of 506.39 g/mol. Its IUPAC name is 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111341312
Molecular FormulaC21H27IN6O
Molecular Weight506.39 g/mol
Exact Mass506.13
IUPAC Name2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCCCn1ccc2ccccc21.I
InChIInChI=1S/C21H26N6O.HI/c1-2-23-21(25-16-20(28)26-18-8-5-11-22-15-18)24-12-6-13-27-14-10-17-7-3-4-9-19(17)27;/h3-5,7-11,14-15H,2,6,12-13,16H2,1H3,(H,26,28)(H2,23,24,25);1H
InChIKeyCOAXBSWJFBXYHK-UHFFFAOYSA-N
XLogP3.24
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111341954
N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
CID 111342083
2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111905250
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
2-[[ethylamino-[3-(4-fluorophenyl)sulfanylpropylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111310793
2-[[ethylamino-[2-(4-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111864634
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111341630
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
methyl 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111341614
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111341271
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111341312) is 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccnc1)NCCCn1ccc2ccccc21.I.
What is the InChIKey of 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is COAXBSWJFBXYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.HI/c1-2-23-21(25-16-20(28)26-18-8-5-11-22-15-18)24-12-6-13-27-14-10-17-7-3-4-9-19(17)27;/h3-5,7-11,14-15H,2,6,12-13,16H2,1H3,(H,26,28)(H2,23,24,25);1H.
What are the key properties of 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 506.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111341312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).