N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C22H29IN6O — CID 119130901

IUPACN-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1C(=O)Nc2ccccc21)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C22H28N6O.HI/c1-2-23-22(28-15-13-27(14-16-28)20-9-5-6-11-24-20)25-12-10-18-17-7-3-4-8-19(17)26-21(18)29;/h3-9,11,18H,2,10,12-16H2,1H3,(H,23,25)(H,26,29);1H
InChIKeyKBZFKWZSCSNMNM-UHFFFAOYSA-N
MW520.42 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119130901) has the molecular formula C22H29IN6O and a molecular weight of 520.42 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119130901
Molecular FormulaC22H29IN6O
Molecular Weight520.42 g/mol
Exact Mass520.14
IUPAC NameN-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1C(=O)Nc2ccccc21)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C22H28N6O.HI/c1-2-23-22(28-15-13-27(14-16-28)20-9-5-6-11-24-20)25-12-10-18-17-7-3-4-8-19(17)26-21(18)29;/h3-9,11,18H,2,10,12-16H2,1H3,(H,23,25)(H,26,29);1H
InChIKeyKBZFKWZSCSNMNM-UHFFFAOYSA-N
XLogP2.91
TPSA72.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130657
N-ethyl-4-pyridin-2-yl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111983962
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N-ethyl-N'-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219550
N'-(4-ethoxybutyl)-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219436
N-ethyl-N'-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221696
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774
N-cyclopropyl-4-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]butanamide
CID 111219601
N-ethyl-N'-[2-(N-methylanilino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219236
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219663
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220173

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119130901) is N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCC1C(=O)Nc2ccccc21)N1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is KBZFKWZSCSNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O.HI/c1-2-23-22(28-15-13-27(14-16-28)20-9-5-6-11-24-20)25-12-10-18-17-7-3-4-8-19(17)26-21(18)29;/h3-9,11,18H,2,10,12-16H2,1H3,(H,23,25)(H,26,29);1H.
What are the key properties of N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 520.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).