3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide

C12H20N4O2 — CID 77002311

IUPAC3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
SMILESCCOc1cccc(N(CC)CCC(N)=NO)n1
InChIInChI=1S/C12H20N4O2/c1-3-16(9-8-10(13)15-17)11-6-5-7-12(14-11)18-4-2/h5-7,17H,3-4,8-9H2,1-2H3,(H2,13,15)
InChIKeyOCOKPXGOCUGETQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.44
Rot. Bonds7

About 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide

3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77002311) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
PubChem CID77002311
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
SMILESCCOc1cccc(N(CC)CCC(N)=NO)n1
InChIInChI=1S/C12H20N4O2/c1-3-16(9-8-10(13)15-17)11-6-5-7-12(14-11)18-4-2/h5-7,17H,3-4,8-9H2,1-2H3,(H2,13,15)
InChIKeyOCOKPXGOCUGETQ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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'}

Analyze 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide 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

3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide
CID 63590025
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
CID 63591440
3-[ethyl(quinoxalin-2-yl)amino]-N'-hydroxypropanimidamide
CID 76941442
1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 79390183
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide
CID 63590024
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
CID 55212591
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-N'-hydroxypropanimidamide
CID 103203991
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
CID 76910453
3-(N-ethyl-4-methylanilino)-N'-hydroxypropanimidamide
CID 76931165
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide (CID 77002311) is 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide is CCOc1cccc(N(CC)CCC(N)=NO)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is OCOKPXGOCUGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16(9-8-10(13)15-17)11-6-5-7-12(14-11)18-4-2/h5-7,17H,3-4,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 252.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77002311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).