N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide

C22H26N6O — CID 119152345

IUPACN'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
SMILESC/N=C(/NCc1cccc2ccccc12)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C22H26N6O/c1-23-22(25-16-18-8-5-7-17-6-3-4-9-19(17)18)28-14-12-27(13-15-28)20-21(29)26(2)11-10-24-20/h3-11H,12-16H2,1-2H3,(H,23,25)
InChIKeyGXWJFPVCPUWBSB-UHFFFAOYSA-N
MW390.49 g/mol
LogP1.83
Rot. Bonds3

About N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide

N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide (PubChem CID 119152345) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
PubChem CID119152345
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
SMILESC/N=C(/NCc1cccc2ccccc12)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C22H26N6O/c1-23-22(25-16-18-8-5-7-17-6-3-4-9-19(17)18)28-14-12-27(13-15-28)20-21(29)26(2)11-10-24-20/h3-11H,12-16H2,1-2H3,(H,23,25)
InChIKeyGXWJFPVCPUWBSB-UHFFFAOYSA-N
XLogP1.83
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.83
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-[[3-(hydroxymethyl)phenyl]methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119159078
N-[(2,5-difluorophenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119154608
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119153219
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(3-methylphenyl)propyl]piperazine-1-carboximidamide
CID 119162928
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153100
N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119154511
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119155719
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153096
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119153099
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
CID 119154604
3-[4-(isoquinolin-5-ylmethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976621
N-(isoquinolin-1-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205033

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide (CID 119152345) is N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide is C/N=C(/NCc1cccc2ccccc12)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is GXWJFPVCPUWBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-23-22(25-16-18-8-5-7-17-6-3-4-9-19(17)18)28-14-12-27(13-15-28)20-21(29)26(2)11-10-24-20/h3-11H,12-16H2,1-2H3,(H,23,25).
What are the key properties of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide?
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 390.49 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 119152345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).