N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C18H27IN6 — CID 111053246

IUPACN'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1cc(C)n(-c2ccc(C/N=C(\N)N3CCCC(C)C3)cn2)n1.I
InChIInChI=1S/C18H26N6.HI/c1-13-5-4-8-23(12-13)18(19)21-11-16-6-7-17(20-10-16)24-15(3)9-14(2)22-24;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H2,19,21);1H
InChIKeyVGLHERZBRNERDE-UHFFFAOYSA-N
MW454.36 g/mol
LogP3.05
Rot. Bonds3

About N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111053246) has the molecular formula C18H27IN6 and a molecular weight of 454.36 g/mol. Its IUPAC name is N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111053246
Molecular FormulaC18H27IN6
Molecular Weight454.36 g/mol
Exact Mass454.13
IUPAC NameN'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1cc(C)n(-c2ccc(C/N=C(\N)N3CCCC(C)C3)cn2)n1.I
InChIInChI=1S/C18H26N6.HI/c1-13-5-4-8-23(12-13)18(19)21-11-16-6-7-17(20-10-16)24-15(3)9-14(2)22-24;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H2,19,21);1H
InChIKeyVGLHERZBRNERDE-UHFFFAOYSA-N
XLogP3.05
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 53.05
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-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'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335
tert-butyl 4-[N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111053255
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111053202
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920159
3-methyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041232
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048307
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
1-(cyclopropylmethyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-ethylguanidine
CID 111869468
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111053246) is N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is Cc1cc(C)n(-c2ccc(C/N=C(\N)N3CCCC(C)C3)cn2)n1.I.
What is the InChIKey of N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is VGLHERZBRNERDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6.HI/c1-13-5-4-8-23(12-13)18(19)21-11-16-6-7-17(20-10-16)24-15(3)9-14(2)22-24;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H2,19,21);1H.
What are the key properties of N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 454.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111053246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).