N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide

C14H22N4O — CID 120580585

IUPACN'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOc1ccc(C/N=C(\N)N2CCCC(C)C2)nc1
InChIInChI=1S/C14H22N4O/c1-11-4-3-7-18(10-11)14(15)17-8-12-5-6-13(19-2)9-16-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,15,17)
InChIKeyMTMVYLLABVHDIU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.64
Rot. Bonds3

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

N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 120580585) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID120580585
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOc1ccc(C/N=C(\N)N2CCCC(C)C2)nc1
InChIInChI=1S/C14H22N4O/c1-11-4-3-7-18(10-11)14(15)17-8-12-5-6-13(19-2)9-16-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,15,17)
InChIKeyMTMVYLLABVHDIU-UHFFFAOYSA-N
XLogP1.64
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.64
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

N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111087503
N'-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111101583
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183
N'-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111050818
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
3-methyl-N'-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-1-carboximidamide
CID 122097455

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide (CID 120580585) is N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide is COc1ccc(C/N=C(\N)N2CCCC(C)C2)nc1.
What is the InChIKey of N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is MTMVYLLABVHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-4-3-7-18(10-11)14(15)17-8-12-5-6-13(19-2)9-16-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,15,17).
What are the key properties of N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 120580585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).