3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide

C12H20N4O — CID 63590025

IUPAC3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1cccc(OCC)n1
InChIInChI=1S/C12H20N4O/c1-3-16(9-8-10(13)14)11-6-5-7-12(15-11)17-4-2/h5-7H,3-4,8-9H2,1-2H3,(H3,13,14)
InChIKeyGXRHCDUDGIAQGK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.63
Rot. Bonds7

About 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide

3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide (PubChem CID 63590025) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide
PubChem CID63590025
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1cccc(OCC)n1
InChIInChI=1S/C12H20N4O/c1-3-16(9-8-10(13)14)11-6-5-7-12(15-11)17-4-2/h5-7H,3-4,8-9H2,1-2H3,(H3,13,14)
InChIKeyGXRHCDUDGIAQGK-UHFFFAOYSA-N
XLogP1.63
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.63
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'}

Analyze 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide 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-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide
CID 63590024
3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
CID 77002311
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
CID 63591440
1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 79390183
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
CID 55212591
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54993087
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477
N'-(6-ethoxy-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 63586844
4-(N-ethylanilino)butanimidamide
CID 24691564

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide (CID 63590025) is 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide is [H]/N=C(\N)CCN(CC)c1cccc(OCC)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide?
The InChIKey is GXRHCDUDGIAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(9-8-10(13)14)11-6-5-7-12(15-11)17-4-2/h5-7H,3-4,8-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide?
3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide has a molecular weight of 236.32 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide is sourced from PubChem (CID 63590025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).