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

C17H28N4O — CID 111154003

IUPACN-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccnc1OC)N1CC(C)CC(C)C1
InChIInChI=1S/C17H28N4O/c1-5-18-17(21-11-13(2)9-14(3)12-21)20-10-15-7-6-8-19-16(15)22-4/h6-8,13-14H,5,9-12H2,1-4H3,(H,18,20)
InChIKeyIRQBYRCKIHWANV-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.53
Rot. Bonds4

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

N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 111154003) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID111154003
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccnc1OC)N1CC(C)CC(C)C1
InChIInChI=1S/C17H28N4O/c1-5-18-17(21-11-13(2)9-14(3)12-21)20-10-15-7-6-8-19-16(15)22-4/h6-8,13-14H,5,9-12H2,1-4H3,(H,18,20)
InChIKeyIRQBYRCKIHWANV-UHFFFAOYSA-N
XLogP2.53
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.53
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'}

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Related Compounds

3-benzyl-N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725118
N'-[(2-ethoxy-3-pyridinyl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145375
N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111144450
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527064
(3R)-N'-[(2-ethoxy-3-pyridinyl)methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551488
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454385
4-acetyl-N'-[(2-ethoxy-3-pyridinyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962304
(3R)-N-ethyl-3-hydroxy-N'-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111551107
methyl 1-[N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254680
4-acetyl-N-ethyl-N'-[(2-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962600
N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 111153497
4-acetyl-N'-[(2-butoxy-3-pyridinyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide (CID 111154003) is N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide is CCN/C(=N\Cc1cccnc1OC)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is IRQBYRCKIHWANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-5-18-17(21-11-13(2)9-14(3)12-21)20-10-15-7-6-8-19-16(15)22-4/h6-8,13-14H,5,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide?
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 304.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111154003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).