N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide

C12H17F3N4O2 — CID 76993842

IUPACN'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-21-8-7-19(6-4-10(16)18-20)11-9(12(13,14)15)3-2-5-17-11/h2-3,5,20H,4,6-8H2,1H3,(H2,16,18)
InChIKeyQUZWMIUZKOUQPW-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.69
Rot. Bonds7

About N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide (PubChem CID 76993842) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
PubChem CID76993842
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-21-8-7-19(6-4-10(16)18-20)11-9(12(13,14)15)3-2-5-17-11/h2-3,5,20H,4,6-8H2,1H3,(H2,16,18)
InChIKeyQUZWMIUZKOUQPW-UHFFFAOYSA-N
XLogP1.69
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.69
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide (CID 76993842) is N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide is COCCN(CCC(N)=NO)c1ncccc1C(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
The InChIKey is QUZWMIUZKOUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-21-8-7-19(6-4-10(16)18-20)11-9(12(13,14)15)3-2-5-17-11/h2-3,5,20H,4,6-8H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide has a molecular weight of 306.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide is sourced from PubChem (CID 76993842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).