N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C21H32N6O — CID 111220205

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN(CC)C(CN/C(=N\C)N1CCN(c2ccccn2)CC1)c1ccco1
InChIInChI=1S/C21H32N6O/c1-4-25(5-2)18(19-9-8-16-28-19)17-24-21(22-3)27-14-12-26(13-15-27)20-10-6-7-11-23-20/h6-11,16,18H,4-5,12-15,17H2,1-3H3,(H,22,24)
InChIKeyCFQBDGWBLJZTGC-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111220205) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111220205
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN(CC)C(CN/C(=N\C)N1CCN(c2ccccn2)CC1)c1ccco1
InChIInChI=1S/C21H32N6O/c1-4-25(5-2)18(19-9-8-16-28-19)17-24-21(22-3)27-14-12-26(13-15-27)20-10-6-7-11-23-20/h6-11,16,18H,4-5,12-15,17H2,1-3H3,(H,22,24)
InChIKeyCFQBDGWBLJZTGC-UHFFFAOYSA-N
XLogP2.46
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220361
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210893
N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]furan-2-carboxamide
CID 111219555
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967645
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983393
ethyl 1-[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155136
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219139
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728311
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221717
N'-methyl-N-[3-(N-methylanilino)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221297
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111220205) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is CCN(CC)C(CN/C(=N\C)N1CCN(c2ccccn2)CC1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is CFQBDGWBLJZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-4-25(5-2)18(19-9-8-16-28-19)17-24-21(22-3)27-14-12-26(13-15-27)20-10-6-7-11-23-20/h6-11,16,18H,4-5,12-15,17H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 384.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111220205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).