4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide

C19H26IN5O2 — CID 109401344

IUPAC4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccncc1C)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C19H25N5O2.HI/c1-15-14-21-7-5-16(15)6-8-22-19(20-2)24-11-9-23(10-12-24)18(25)17-4-3-13-26-17;/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,20,22);1H
InChIKeyJDUSHZVCYHQHHI-UHFFFAOYSA-N
MW483.35 g/mol
LogP2.18
Rot. Bonds4

About 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 109401344) has the molecular formula C19H26IN5O2 and a molecular weight of 483.35 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID109401344
Molecular FormulaC19H26IN5O2
Molecular Weight483.35 g/mol
Exact Mass483.11
IUPAC Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccncc1C)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C19H25N5O2.HI/c1-15-14-21-7-5-16(15)6-8-22-19(20-2)24-11-9-23(10-12-24)18(25)17-4-3-13-26-17;/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,20,22);1H
InChIKeyJDUSHZVCYHQHHI-UHFFFAOYSA-N
XLogP2.18
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 52.18
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

4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-benzyl-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide
CID 109400703
4-(furan-2-carbonyl)-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111167439
4-(furan-2-carbonyl)-N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 119130447
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 109402822
4-(furan-2-carbonyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111168013
4-(furan-2-carbonyl)-N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130518
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111511341
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166410

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 109401344) is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1ccncc1C)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is JDUSHZVCYHQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.HI/c1-15-14-21-7-5-16(15)6-8-22-19(20-2)24-11-9-23(10-12-24)18(25)17-4-3-13-26-17;/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 483.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109401344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).