N-[(E)-pyridin-3-ylmethylideneamino]octanamide

C14H21N3O — CID 5332699

IUPACN-[(E)-pyridin-3-ylmethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1cccnc1
InChIInChI=1S/C14H21N3O/c1-2-3-4-5-6-9-14(18)17-16-12-13-8-7-10-15-11-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)/b16-12+
InChIKeyGLXFAVDYEVTNBN-FOWTUZBSSA-N
MW247.34 g/mol
LogP2.89
Rot. Bonds8

About N-[(E)-pyridin-3-ylmethylideneamino]octanamide

N-[(E)-pyridin-3-ylmethylideneamino]octanamide (PubChem CID 5332699) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]octanamide
PubChem CID5332699
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1cccnc1
InChIInChI=1S/C14H21N3O/c1-2-3-4-5-6-9-14(18)17-16-12-13-8-7-10-15-11-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)/b16-12+
InChIKeyGLXFAVDYEVTNBN-FOWTUZBSSA-N
XLogP2.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-pyridin-3-ylmethylideneamino]octanamide?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]octanamide (CID 5332699) is N-[(E)-pyridin-3-ylmethylideneamino]octanamide.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]octanamide?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]octanamide is CCCCCCCC(=O)N/N=C/c1cccnc1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]octanamide?
The InChIKey is GLXFAVDYEVTNBN-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-4-5-6-9-14(18)17-16-12-13-8-7-10-15-11-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)/b16-12+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]octanamide?
N-[(E)-pyridin-3-ylmethylideneamino]octanamide has a molecular weight of 247.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-3-ylmethylideneamino]octanamide is sourced from PubChem (CID 5332699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).