4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide

C12H20N4O2 — CID 135965118

IUPAC4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
SMILESCCN(CC)CCOc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O2/c1-3-16(4-2)7-8-18-10-5-6-14-11(9-10)12(13)15-17/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyOCJKXBKZVKBLRR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.90
Rot. Bonds7

About 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide

4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 135965118) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
PubChem CID135965118
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
SMILESCCN(CC)CCOc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O2/c1-3-16(4-2)7-8-18-10-5-6-14-11(9-10)12(13)15-17/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyOCJKXBKZVKBLRR-UHFFFAOYSA-N
XLogP0.90
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-hydroxy-4-[5-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide
CID 135878418
6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
CID 137103725
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride
CID 53346999
N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carboximidamide
CID 136932357
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
CID 135965054
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide
CID 107912473
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide (CID 135965118) is 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide is CCN(CC)CCOc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is OCJKXBKZVKBLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16(4-2)7-8-18-10-5-6-14-11(9-10)12(13)15-17/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide?
4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 135965118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).