N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide

C16H26IN5 — CID 111048899

IUPACN'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCCC2)nc1)N1CCCCC1
InChIInChI=1S/C16H25N5.HI/c17-16(21-10-2-1-3-11-21)19-13-14-6-7-15(18-12-14)20-8-4-5-9-20;/h6-7,12H,1-5,8-11,13H2,(H2,17,19);1H
InChIKeyXAGOEDMWHJEHFW-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.60
Rot. Bonds3

About N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111048899) has the molecular formula C16H26IN5 and a molecular weight of 415.32 g/mol. Its IUPAC name is N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111048899
Molecular FormulaC16H26IN5
Molecular Weight415.32 g/mol
Exact Mass415.12
IUPAC NameN'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCCC2)nc1)N1CCCCC1
InChIInChI=1S/C16H25N5.HI/c17-16(21-10-2-1-3-11-21)19-13-14-6-7-15(18-12-14)20-8-4-5-9-20;/h6-7,12H,1-5,8-11,13H2,(H2,17,19);1H
InChIKeyXAGOEDMWHJEHFW-UHFFFAOYSA-N
XLogP2.60
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.60
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920159
4-(4-chlorophenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111048884
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110925737
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955079
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-tert-butylguanidine
CID 111049192
1-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111049216
4-(4-fluorophenyl)-N'-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119117915
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(cyclobutylmethyl)guanidine
CID 111049228

Frequently Asked Questions

What is the IUPAC name of N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111048899) is N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(N2CCCC2)nc1)N1CCCCC1.
What is the InChIKey of N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is XAGOEDMWHJEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.HI/c17-16(21-10-2-1-3-11-21)19-13-14-6-7-15(18-12-14)20-8-4-5-9-20;/h6-7,12H,1-5,8-11,13H2,(H2,17,19);1H.
What are the key properties of N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111048899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).