2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide

C11H17BrN4O — CID 113454292

IUPAC2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC(C)N(C/C(N)=N/O)Cc1cncc(Br)c1
InChIInChI=1S/C11H17BrN4O/c1-8(2)16(7-11(13)15-17)6-9-3-10(12)5-14-4-9/h3-5,8,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyUCRQXODZLMUROY-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.80
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide

2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide (PubChem CID 113454292) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
PubChem CID113454292
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC(C)N(C/C(N)=N/O)Cc1cncc(Br)c1
InChIInChI=1S/C11H17BrN4O/c1-8(2)16(7-11(13)15-17)6-9-3-10(12)5-14-4-9/h3-5,8,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyUCRQXODZLMUROY-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.80
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'}

Analyze 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide 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

2-[(4-fluorophenyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77044595
N'-hydroxy-2-[(3-methoxyphenyl)methyl-propan-2-ylamino]ethanimidamide
CID 77044695
N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
CID 102881366
3-[(5-bromo-3-pyridinyl)methyl-(2-methylpropyl)amino]propanethioamide
CID 104797288
3-[(5-bromo-3-pyridinyl)methyl-methylamino]butanethioamide
CID 104797303
2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
CID 56810079
N'-[(5-bromo-3-pyridinyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104798126
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
N-[(5-bromo-3-pyridinyl)methyl]-N-ethylsulfanylpropan-2-amine
CID 146229382
2-[(5-bromo-3-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113224901
2-[(3-bromo-5-fluorophenyl)methyl-propan-2-ylamino]ethanethioamide
CID 79706319

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide (CID 113454292) is 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide is CC(C)N(C/C(N)=N/O)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The InChIKey is UCRQXODZLMUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-8(2)16(7-11(13)15-17)6-9-3-10(12)5-14-4-9/h3-5,8,17H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide has a molecular weight of 301.19 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 113454292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).