3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide

C11H15BrN4O — CID 104776684

IUPAC3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(c1ccncc1Br)C1CC1)=N/O
InChIInChI=1S/C11H15BrN4O/c12-9-7-14-5-3-10(9)16(8-1-2-8)6-4-11(13)15-17/h3,5,7-8,17H,1-2,4,6H2,(H2,13,15)
InChIKeyHXJYPFVYXHKEBC-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.95
Rot. Bonds5

About 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide

3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide (PubChem CID 104776684) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
PubChem CID104776684
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(c1ccncc1Br)C1CC1)=N/O
InChIInChI=1S/C11H15BrN4O/c12-9-7-14-5-3-10(9)16(8-1-2-8)6-4-11(13)15-17/h3,5,7-8,17H,1-2,4,6H2,(H2,13,15)
InChIKeyHXJYPFVYXHKEBC-UHFFFAOYSA-N
XLogP1.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.95
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

3-[(3-bromo-4-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 113451993
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
CID 104776567
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
CID 54997535
3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide
CID 76911806
3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911857
3-[cyclopropyl(2-pyridin-4-ylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911647
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174
3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
CID 76911864
N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
CID 77013636

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide (CID 104776684) is 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide is N/C(CCN(c1ccncc1Br)C1CC1)=N/O.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide?
The InChIKey is HXJYPFVYXHKEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c12-9-7-14-5-3-10(9)16(8-1-2-8)6-4-11(13)15-17/h3,5,7-8,17H,1-2,4,6H2,(H2,13,15).
What are the key properties of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide?
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide has a molecular weight of 299.17 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104776684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).