N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C21H27IN6O — CID 119130947

IUPACN'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCN1C(=O)Cc2ccccc21)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C21H26N6O.HI/c1-22-21(26-14-12-25(13-15-26)19-8-4-5-9-23-19)24-10-11-27-18-7-3-2-6-17(18)16-20(27)28;/h2-9H,10-16H2,1H3,(H,22,24);1H
InChIKeyYIFJGUGFBLZIHS-UHFFFAOYSA-N
MW506.39 g/mol
LogP1.99
Rot. Bonds4

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

N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119130947) has the molecular formula C21H27IN6O and a molecular weight of 506.39 g/mol. Its IUPAC name is N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119130947
Molecular FormulaC21H27IN6O
Molecular Weight506.39 g/mol
Exact Mass506.13
IUPAC NameN'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCN1C(=O)Cc2ccccc21)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C21H26N6O.HI/c1-22-21(26-14-12-25(13-15-26)19-8-4-5-9-23-19)24-10-11-27-18-7-3-2-6-17(18)16-20(27)28;/h2-9H,10-16H2,1H3,(H,22,24);1H
InChIKeyYIFJGUGFBLZIHS-UHFFFAOYSA-N
XLogP1.99
TPSA64.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130917
N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 119115748
4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130400
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131907
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221006
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
methyl 7-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 111219674
N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
CID 119130932
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N-methyl-2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119130899
N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221062

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119130947) is N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCCN1C(=O)Cc2ccccc21)N1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is YIFJGUGFBLZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.HI/c1-22-21(26-14-12-25(13-15-26)19-8-4-5-9-23-19)24-10-11-27-18-7-3-2-6-17(18)16-20(27)28;/h2-9H,10-16H2,1H3,(H,22,24);1H.
What are the key properties of N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 506.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).