3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide

C11H18N4O — CID 63590024

IUPAC3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1cccc(OC)n1
InChIInChI=1S/C11H18N4O/c1-3-15(8-7-9(12)13)10-5-4-6-11(14-10)16-2/h4-6H,3,7-8H2,1-2H3,(H3,12,13)
InChIKeyDWNZSJCDDSHHDT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.24
Rot. Bonds6

About 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide

3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide (PubChem CID 63590024) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide
PubChem CID63590024
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1cccc(OC)n1
InChIInChI=1S/C11H18N4O/c1-3-15(8-7-9(12)13)10-5-4-6-11(14-10)16-2/h4-6H,3,7-8H2,1-2H3,(H3,12,13)
InChIKeyDWNZSJCDDSHHDT-UHFFFAOYSA-N
XLogP1.24
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.24
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

3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide
CID 63590025
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
CID 63591440
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477
1-[ethyl-(6-methoxy-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79390079
3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
CID 77002311
2-(6-methoxy-2-pyridinyl)ethanimidamide
CID 63986887
3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54993087
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine
CID 80673734
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
N'-(6-methoxy-2-pyridinyl)-N-methyl-N'-propylethane-1,2-diamine
CID 63587227
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide?
The IUPAC name of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide (CID 63590024) is 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)c1cccc(OC)n1.
What is the InChIKey of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide?
The InChIKey is DWNZSJCDDSHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(8-7-9(12)13)10-5-4-6-11(14-10)16-2/h4-6H,3,7-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide?
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide has a molecular weight of 222.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide is sourced from PubChem (CID 63590024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).