2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide

C11H18N4O — CID 82739404

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
SMILESCCc1cccnc1CNC(C)/C(N)=N/O
InChIInChI=1S/C11H18N4O/c1-3-9-5-4-6-13-10(9)7-14-8(2)11(12)15-16/h4-6,8,14,16H,3,7H2,1-2H3,(H2,12,15)
InChIKeyPJWIGXHJZYIXAM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds5

About 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide

2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide (PubChem CID 82739404) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
PubChem CID82739404
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
SMILESCCc1cccnc1CNC(C)/C(N)=N/O
InChIInChI=1S/C11H18N4O/c1-3-9-5-4-6-13-10(9)7-14-8(2)11(12)15-16/h4-6,8,14,16H,3,7H2,1-2H3,(H2,12,15)
InChIKeyPJWIGXHJZYIXAM-UHFFFAOYSA-N
XLogP0.87
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide (CID 82739404) is 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide is CCc1cccnc1CNC(C)/C(N)=N/O.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide?
The InChIKey is PJWIGXHJZYIXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9-5-4-6-13-10(9)7-14-8(2)11(12)15-16/h4-6,8,14,16H,3,7H2,1-2H3,(H2,12,15).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide?
2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide has a molecular weight of 222.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 82739404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).