N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide

C18H24N6 — CID 111219091

IUPACN'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCc1ccccn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H24N6/c1-19-18(22-11-8-16-6-2-4-9-20-16)24-14-12-23(13-15-24)17-7-3-5-10-21-17/h2-7,9-10H,8,11-15H2,1H3,(H,19,22)
InChIKeyHJZAKFIIZPTBKA-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.42
Rot. Bonds4

About N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide

N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide (PubChem CID 111219091) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
PubChem CID111219091
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCc1ccccn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H24N6/c1-19-18(22-11-8-16-6-2-4-9-20-16)24-14-12-23(13-15-24)17-7-3-5-10-21-17/h2-7,9-10H,8,11-15H2,1H3,(H,19,22)
InChIKeyHJZAKFIIZPTBKA-UHFFFAOYSA-N
XLogP1.42
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.42
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'}

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Related Compounds

N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219059
N'-methyl-N-[2-(3-methylphenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219325
N-[2-(5-bromothiophen-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220483
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221607
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N-[4-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111218994
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111512749
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119130984
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 109391790
methyl 4-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]benzoate
CID 111220439
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111512727
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide (CID 111219091) is N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide is C/N=C(\NCCc1ccccn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide?
The InChIKey is HJZAKFIIZPTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-19-18(22-11-8-16-6-2-4-9-20-16)24-14-12-23(13-15-24)17-7-3-5-10-21-17/h2-7,9-10H,8,11-15H2,1H3,(H,19,22).
What are the key properties of N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide?
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide has a molecular weight of 324.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111219091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).