3-oxo-N-pyridin-3-yldodecanamide

C17H26N2O2 — CID 118730970

IUPAC3-oxo-N-pyridin-3-yldodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1cccnc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-11-16(20)13-17(21)19-15-10-9-12-18-14-15/h9-10,12,14H,2-8,11,13H2,1H3,(H,19,21)
InChIKeyJNJDNCLWGUUEMN-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.12
Rot. Bonds11

About 3-oxo-N-pyridin-3-yldodecanamide

3-oxo-N-pyridin-3-yldodecanamide (PubChem CID 118730970) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-oxo-N-pyridin-3-yldodecanamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-3-yldodecanamide
PubChem CID118730970
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-oxo-N-pyridin-3-yldodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1cccnc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-11-16(20)13-17(21)19-15-10-9-12-18-14-15/h9-10,12,14H,2-8,11,13H2,1H3,(H,19,21)
InChIKeyJNJDNCLWGUUEMN-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-3-yldodecanamide?
The IUPAC name of 3-oxo-N-pyridin-3-yldodecanamide (CID 118730970) is 3-oxo-N-pyridin-3-yldodecanamide.
What is the SMILES notation for 3-oxo-N-pyridin-3-yldodecanamide?
The canonical SMILES for 3-oxo-N-pyridin-3-yldodecanamide is CCCCCCCCCC(=O)CC(=O)Nc1cccnc1.
What is the InChIKey of 3-oxo-N-pyridin-3-yldodecanamide?
The InChIKey is JNJDNCLWGUUEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-11-16(20)13-17(21)19-15-10-9-12-18-14-15/h9-10,12,14H,2-8,11,13H2,1H3,(H,19,21).
What are the key properties of 3-oxo-N-pyridin-3-yldodecanamide?
3-oxo-N-pyridin-3-yldodecanamide has a molecular weight of 290.41 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-3-yldodecanamide is sourced from PubChem (CID 118730970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).