N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide

C17H28N4O — CID 111144892

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(/NCc1ncc(C)c(OC)c1C)N1CCCC(C)C1
InChIInChI=1S/C17H28N4O/c1-12-7-6-8-21(11-12)17(18-4)20-10-15-14(3)16(22-5)13(2)9-19-15/h9,12H,6-8,10-11H2,1-5H3,(H,18,20)
InChIKeyJXJBLRXUCLPAAZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.51
Rot. Bonds3

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111144892) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111144892
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(/NCc1ncc(C)c(OC)c1C)N1CCCC(C)C1
InChIInChI=1S/C17H28N4O/c1-12-7-6-8-21(11-12)17(18-4)20-10-15-14(3)16(22-5)13(2)9-19-15/h9,12H,6-8,10-11H2,1-5H3,(H,18,20)
InChIKeyJXJBLRXUCLPAAZ-UHFFFAOYSA-N
XLogP2.51
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733065
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111087503
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62028233
N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111583873
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743244
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-methylcyclohexyl]methanol
CID 62551679
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111144338
N-[3-(4-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144532
N-[(3-bromo-4-methoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145552
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409233

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111144892) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(/NCc1ncc(C)c(OC)c1C)N1CCCC(C)C1.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is JXJBLRXUCLPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12-7-6-8-21(11-12)17(18-4)20-10-15-14(3)16(22-5)13(2)9-19-15/h9,12H,6-8,10-11H2,1-5H3,(H,18,20).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 304.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).