2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide

C11H18N4O — CID 76915276

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(Cc1ccncc1)C(C)C(N)=NO
InChIInChI=1S/C11H18N4O/c1-3-15(9(2)11(12)14-16)8-10-4-6-13-7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,12,14)
InChIKeyZPFPWYOVOBTJQP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds5

About 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide

2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76915276) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76915276
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(Cc1ccncc1)C(C)C(N)=NO
InChIInChI=1S/C11H18N4O/c1-3-15(9(2)11(12)14-16)8-10-4-6-13-7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,12,14)
InChIKeyZPFPWYOVOBTJQP-UHFFFAOYSA-N
XLogP1.04
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
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

2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide
CID 76915509
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
CID 79408797
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915046
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 62431481
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62431127
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 76915276) is 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide is CCN(Cc1ccncc1)C(C)C(N)=NO.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZPFPWYOVOBTJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(9(2)11(12)14-16)8-10-4-6-13-7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,12,14).
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide?
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 222.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).