3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide

C12H19BrN4O — CID 105366621

IUPAC3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)c1ncc(C)cc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-17(7-9(3)11(14)16-18)12-10(13)5-8(2)6-15-12/h5-6,9,18H,4,7H2,1-3H3,(H2,14,16)
InChIKeyMDTQMMLFIPVRDX-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.36
Rot. Bonds5

About 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 105366621) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID105366621
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)c1ncc(C)cc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-17(7-9(3)11(14)16-18)12-10(13)5-8(2)6-15-12/h5-6,9,18H,4,7H2,1-3H3,(H2,14,16)
InChIKeyMDTQMMLFIPVRDX-UHFFFAOYSA-N
XLogP2.36
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.36
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-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 106549390
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
3-[ethyl-(1-methylimidazol-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76936481
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 115354893
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 103958277
4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 76910339
3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105367746
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanethioamide
CID 106795812
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 105366621) is 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)c1ncc(C)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is MDTQMMLFIPVRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-4-17(7-9(3)11(14)16-18)12-10(13)5-8(2)6-15-12/h5-6,9,18H,4,7H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 315.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 105366621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).