N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

C17H29N5O — CID 109407252

IUPACN-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2cccc(N(C)C)n2)CC1
InChIInChI=1S/C17H29N5O/c1-5-23-15-9-11-22(12-10-15)17(18-2)19-13-14-7-6-8-16(20-14)21(3)4/h6-8,15H,5,9-13H2,1-4H3,(H,18,19)
InChIKeyLKOCGGQOGRDYOP-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.72
Rot. Bonds5

About N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 109407252) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID109407252
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCc2cccc(N(C)C)n2)CC1
InChIInChI=1S/C17H29N5O/c1-5-23-15-9-11-22(12-10-15)17(18-2)19-13-14-7-6-8-16(20-14)21(3)4/h6-8,15H,5,9-13H2,1-4H3,(H,18,19)
InChIKeyLKOCGGQOGRDYOP-UHFFFAOYSA-N
XLogP1.72
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-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-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427013
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 109403547
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109401140
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109403546
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
CID 111959393
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958409
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427485
4-ethoxy-N'-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111959083
4-ethoxy-N-[(2-ethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960028
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (CID 109407252) is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCc2cccc(N(C)C)n2)CC1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is LKOCGGQOGRDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-5-23-15-9-11-22(12-10-15)17(18-2)19-13-14-7-6-8-16(20-14)21(3)4/h6-8,15H,5,9-13H2,1-4H3,(H,18,19).
What are the key properties of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109407252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).