N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide

C13H20N2O3 — CID 46872843

IUPACN-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
SMILESCc1ccc(OCCCCCCC(=O)NO)cn1
InChIInChI=1S/C13H20N2O3/c1-11-7-8-12(10-14-11)18-9-5-3-2-4-6-13(16)15-17/h7-8,10,17H,2-6,9H2,1H3,(H,15,16)
InChIKeyOSVUENVDWVYWOA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.22
Rot. Bonds8

About N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide

N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide (PubChem CID 46872843) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
PubChem CID46872843
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
SMILESCc1ccc(OCCCCCCC(=O)NO)cn1
InChIInChI=1S/C13H20N2O3/c1-11-7-8-12(10-14-11)18-9-5-3-2-4-6-13(16)15-17/h7-8,10,17H,2-6,9H2,1H3,(H,15,16)
InChIKeyOSVUENVDWVYWOA-UHFFFAOYSA-N
XLogP2.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide;platinum(2+);dichloride
CID 46873182
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
5-butoxy-2-methylpyridine
CID 13154052
7-(4-cyclohexa-1,5-dien-3-yn-1-ylphenoxy)-N-hydroxyheptanamide
CID 142086769
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide
CID 39379617
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
CID 90681607
N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
CID 55030985
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
4-[2-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]phenyl]butanoic acid
CID 137487819

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide?
The IUPAC name of N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide (CID 46872843) is N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide?
The canonical SMILES for N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide is Cc1ccc(OCCCCCCC(=O)NO)cn1.
What is the InChIKey of N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide?
The InChIKey is OSVUENVDWVYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11-7-8-12(10-14-11)18-9-5-3-2-4-6-13(16)15-17/h7-8,10,17H,2-6,9H2,1H3,(H,15,16).
What are the key properties of N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide?
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide has a molecular weight of 252.31 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide is sourced from PubChem (CID 46872843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).