N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide

C9H14N4O — CID 135213527

IUPACN'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide
SMILESCOc1ccc(/C(N)=N/CCN)cn1
InChIInChI=1S/C9H14N4O/c1-14-8-3-2-7(6-13-8)9(11)12-5-4-10/h2-3,6H,4-5,10H2,1H3,(H2,11,12)
InChIKeyNKAFVOORCCAMRO-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.25
Rot. Bonds4

About N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide

N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide (PubChem CID 135213527) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide
PubChem CID135213527
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide
SMILESCOc1ccc(/C(N)=N/CCN)cn1
InChIInChI=1S/C9H14N4O/c1-14-8-3-2-7(6-13-8)9(11)12-5-4-10/h2-3,6H,4-5,10H2,1H3,(H2,11,12)
InChIKeyNKAFVOORCCAMRO-UHFFFAOYSA-N
XLogP-0.25
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
CID 55160748
6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
N-(2-amino-2-oxoethoxy)-6-methoxypyridine-3-carboxamide
CID 112550755
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111038740
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide?
The IUPAC name of N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide (CID 135213527) is N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide.
What is the SMILES notation for N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide?
The canonical SMILES for N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide is COc1ccc(/C(N)=N/CCN)cn1.
What is the InChIKey of N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide?
The InChIKey is NKAFVOORCCAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-14-8-3-2-7(6-13-8)9(11)12-5-4-10/h2-3,6H,4-5,10H2,1H3,(H2,11,12).
What are the key properties of N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide?
N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide is sourced from PubChem (CID 135213527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).