N'-hydroxy-N-pyridin-3-yloctanediamide

C13H19N3O3 — CID 4996

IUPACN'-hydroxy-N-pyridin-3-yloctanediamide
SMILESO=C(CCCCCCC(=O)Nc1cccnc1)NO
InChIInChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)
InChIKeyPTJGLFIIZFVFJV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.87
Rot. Bonds8

About N'-hydroxy-N-pyridin-3-yloctanediamide

N'-hydroxy-N-pyridin-3-yloctanediamide (PubChem CID 4996) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N'-hydroxy-N-pyridin-3-yloctanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-pyridin-3-yloctanediamide
PubChem CID4996
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN'-hydroxy-N-pyridin-3-yloctanediamide
SMILESO=C(CCCCCCC(=O)Nc1cccnc1)NO
InChIInChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)
InChIKeyPTJGLFIIZFVFJV-UHFFFAOYSA-N
XLogP1.87
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-pyridin-3-yloctanediamide?
The IUPAC name of N'-hydroxy-N-pyridin-3-yloctanediamide (CID 4996) is N'-hydroxy-N-pyridin-3-yloctanediamide.
What is the SMILES notation for N'-hydroxy-N-pyridin-3-yloctanediamide?
The canonical SMILES for N'-hydroxy-N-pyridin-3-yloctanediamide is O=C(CCCCCCC(=O)Nc1cccnc1)NO.
What is the InChIKey of N'-hydroxy-N-pyridin-3-yloctanediamide?
The InChIKey is PTJGLFIIZFVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18).
What are the key properties of N'-hydroxy-N-pyridin-3-yloctanediamide?
N'-hydroxy-N-pyridin-3-yloctanediamide has a molecular weight of 265.31 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-pyridin-3-yloctanediamide is sourced from PubChem (CID 4996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).