N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide

C14H14BrN3O4 — CID 123643781

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide
SMILESCc1nc(NC(=O)COc2ccc(N(O)O)cc2)ccc1Br
InChIInChI=1S/C14H14BrN3O4/c1-9-12(15)6-7-13(16-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h2-7,20-21H,8H2,1H3,(H,16,17,19)
InChIKeyJHRLQLQEJCIZBG-UHFFFAOYSA-N
MW368.19 g/mol
LogP2.75
Rot. Bonds5

About N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide (PubChem CID 123643781) has the molecular formula C14H14BrN3O4 and a molecular weight of 368.19 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide
PubChem CID123643781
Molecular FormulaC14H14BrN3O4
Molecular Weight368.19 g/mol
Exact Mass367.02
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide
SMILESCc1nc(NC(=O)COc2ccc(N(O)O)cc2)ccc1Br
InChIInChI=1S/C14H14BrN3O4/c1-9-12(15)6-7-13(16-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h2-7,20-21H,8H2,1H3,(H,16,17,19)
InChIKeyJHRLQLQEJCIZBG-UHFFFAOYSA-N
XLogP2.75
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 925711
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybenzamide
CID 925722
2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
CID 19630585
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110
2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-(4-bromo-3-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978729
2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide
CID 139571859

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide (CID 123643781) is N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide is Cc1nc(NC(=O)COc2ccc(N(O)O)cc2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide?
The InChIKey is JHRLQLQEJCIZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4/c1-9-12(15)6-7-13(16-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h2-7,20-21H,8H2,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide has a molecular weight of 368.19 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide is sourced from PubChem (CID 123643781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).