4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide

C16H28IN5 — CID 110928110

IUPAC4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCCNc2ccccn2)CC1.I
InChIInChI=1S/C16H27N5.HI/c1-14-7-12-21(13-8-14)16(17)20-11-5-4-10-19-15-6-2-3-9-18-15;/h2-3,6,9,14H,4-5,7-8,10-13H2,1H3,(H2,17,20)(H,18,19);1H
InChIKeyGRTXXWGWMFDYQI-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.94
Rot. Bonds6

About 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110928110) has the molecular formula C16H28IN5 and a molecular weight of 417.34 g/mol. Its IUPAC name is 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110928110
Molecular FormulaC16H28IN5
Molecular Weight417.34 g/mol
Exact Mass417.14
IUPAC Name4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCCNc2ccccn2)CC1.I
InChIInChI=1S/C16H27N5.HI/c1-14-7-12-21(13-8-14)16(17)20-11-5-4-10-19-15-6-2-3-9-18-15;/h2-3,6,9,14H,4-5,7-8,10-13H2,1H3,(H2,17,20)(H,18,19);1H
InChIKeyGRTXXWGWMFDYQI-UHFFFAOYSA-N
XLogP2.94
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide 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-dimethyl-N-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111209976
methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate;hydroiodide
CID 15616781
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
methyl 1-[N-ethyl-N'-[4-(pyridin-2-ylamino)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252134
1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111097152
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111387193
4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110920838
2-octyl-1-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111097167
N-ethyl-4-pyridin-2-yl-N'-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111219166
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
CID 111097205
N-ethyl-3,3-dimethyl-N'-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide (CID 110928110) is 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCCCNc2ccccn2)CC1.I.
What is the InChIKey of 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is GRTXXWGWMFDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5.HI/c1-14-7-12-21(13-8-14)16(17)20-11-5-4-10-19-15-6-2-3-9-18-15;/h2-3,6,9,14H,4-5,7-8,10-13H2,1H3,(H2,17,20)(H,18,19);1H.
What are the key properties of 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110928110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).