N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide

C22H28N6O — CID 109480086

IUPACN'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide
SMILESC/N=C(/NCCCc1nnc2ccccn12)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H28N6O/c1-17-8-3-4-9-18(17)19-16-27(14-15-29-19)22(23-2)24-12-7-11-21-26-25-20-10-5-6-13-28(20)21/h3-6,8-10,13,19H,7,11-12,14-16H2,1-2H3,(H,23,24)
InChIKeyGLSIXUZTQBPRDV-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.62
Rot. Bonds5

About N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide

N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide (PubChem CID 109480086) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide
PubChem CID109480086
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide
SMILESC/N=C(/NCCCc1nnc2ccccn12)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H28N6O/c1-17-8-3-4-9-18(17)19-16-27(14-15-29-19)22(23-2)24-12-7-11-21-26-25-20-10-5-6-13-28(20)21/h3-6,8-10,13,19H,7,11-12,14-16H2,1-2H3,(H,23,24)
InChIKeyGLSIXUZTQBPRDV-UHFFFAOYSA-N
XLogP2.62
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-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'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
N-ethyl-2-(2-methylphenyl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109481388
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
N'-methyl-2-(2-methylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109479968
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-2-(2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109481456
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481307
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480747
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide (CID 109480086) is N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide is C/N=C(/NCCCc1nnc2ccccn12)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide?
The InChIKey is GLSIXUZTQBPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-17-8-3-4-9-18(17)19-16-27(14-15-29-19)22(23-2)24-12-7-11-21-26-25-20-10-5-6-13-28(20)21/h3-6,8-10,13,19H,7,11-12,14-16H2,1-2H3,(H,23,24).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide has a molecular weight of 392.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109480086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).