2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide

C9H14N4O — CID 83878920

IUPAC2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide
SMILESCN(C)c1ccc(C/C(N)=N/O)cn1
InChIInChI=1S/C9H14N4O/c1-13(2)9-4-3-7(6-11-9)5-8(10)12-14/h3-4,6,14H,5H2,1-2H3,(H2,10,12)
InChIKeyIJOUGZFRZQMEDB-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.44
Rot. Bonds3

About 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide

2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide (PubChem CID 83878920) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide
PubChem CID83878920
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide
SMILESCN(C)c1ccc(C/C(N)=N/O)cn1
InChIInChI=1S/C9H14N4O/c1-13(2)9-4-3-7(6-11-9)5-8(10)12-14/h3-4,6,14H,5H2,1-2H3,(H2,10,12)
InChIKeyIJOUGZFRZQMEDB-UHFFFAOYSA-N
XLogP0.44
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.44
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-5-propylpyridin-2-amine
CID 23544386
2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide
CID 83878916
2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide
CID 83884463
N'-hydroxy-2-phenylethanimidamide
CID 6074309
6-(dimethylamino)pyridin-3-ol
CID 11715188
N,N-dimethyl-5-propylpyridin-2-amine;2-ethyl-5-propylpyridine
CID 142247684
2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
CID 130167206
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850304
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
5-(1-aminopropan-2-yl)-N,N-dimethylpyridin-2-amine
CID 82654185
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide (CID 83878920) is 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide is CN(C)c1ccc(C/C(N)=N/O)cn1.
What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide?
The InChIKey is IJOUGZFRZQMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13(2)9-4-3-7(6-11-9)5-8(10)12-14/h3-4,6,14H,5H2,1-2H3,(H2,10,12).
What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide?
2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 83878920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).