N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C23H34N6O2 — CID 111219139

IUPACN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccc(OC)c(OC)c1)N(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H34N6O2/c1-24-23(29-14-12-28(13-15-29)22-8-6-7-11-25-22)26-17-19(27(2)3)18-9-10-20(30-4)21(16-18)31-5/h6-11,16,19H,12-15,17H2,1-5H3,(H,24,26)
InChIKeyHIEAAIPCLNIFLL-UHFFFAOYSA-N
MW426.57 g/mol
LogP2.10
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111219139) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111219139
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccc(OC)c(OC)c1)N(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H34N6O2/c1-24-23(29-14-12-28(13-15-29)22-8-6-7-11-25-22)26-17-19(27(2)3)18-9-10-20(30-4)21(16-18)31-5/h6-11,16,19H,12-15,17H2,1-5H3,(H,24,26)
InChIKeyHIEAAIPCLNIFLL-UHFFFAOYSA-N
XLogP2.10
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961581
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220205
ethyl 1-[N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157301
N'-methyl-N-[3-(N-methylanilino)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221297
N-[2-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220429
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219559
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219158
N'-methyl-N-(2-methyl-3-phenylmethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219036
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
N'-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219330
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219297

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111219139) is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is C/N=C(/NCC(c1ccc(OC)c(OC)c1)N(C)C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is HIEAAIPCLNIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-24-23(29-14-12-28(13-15-29)22-8-6-7-11-25-22)26-17-19(27(2)3)18-9-10-20(30-4)21(16-18)31-5/h6-11,16,19H,12-15,17H2,1-5H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 426.57 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111219139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).