N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide

C19H26N6O3 — CID 119153219

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(OC)c(O)c1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C19H26N6O3/c1-20-19(22-13-14-4-5-16(28-3)15(26)12-14)25-10-8-24(9-11-25)17-18(27)23(2)7-6-21-17/h4-7,12,26H,8-11,13H2,1-3H3,(H,20,22)
InChIKeyADMCSBCYRZCWRA-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.39
Rot. Bonds4

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide (PubChem CID 119153219) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
PubChem CID119153219
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(OC)c(O)c1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C19H26N6O3/c1-20-19(22-13-14-4-5-16(28-3)15(26)12-14)25-10-8-24(9-11-25)17-18(27)23(2)7-6-21-17/h4-7,12,26H,8-11,13H2,1-3H3,(H,20,22)
InChIKeyADMCSBCYRZCWRA-UHFFFAOYSA-N
XLogP0.39
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119154511
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 119152345
N-[(4-methoxy-3-methylphenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207995
N-[(4-methoxy-3-nitrophenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119130738
N-[(3-methoxy-4-propoxyphenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207482
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-pyrimidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111205746
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
CID 119154604

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide (CID 119153219) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide is C/N=C(\NCc1ccc(OC)c(O)c1)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The InChIKey is ADMCSBCYRZCWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-20-19(22-13-14-4-5-16(28-3)15(26)12-14)25-10-8-24(9-11-25)17-18(27)23(2)7-6-21-17/h4-7,12,26H,8-11,13H2,1-3H3,(H,20,22).
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide has a molecular weight of 386.46 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 119153219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).