3-oxo-N-pyridin-4-yldodecanamide

C17H26N2O2 — CID 118730971

IUPAC3-oxo-N-pyridin-4-yldodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1ccncc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-9-16(20)14-17(21)19-15-10-12-18-13-11-15/h10-13H,2-9,14H2,1H3,(H,18,19,21)
InChIKeyYXKULWWVKZSTJX-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.12
Rot. Bonds11

About 3-oxo-N-pyridin-4-yldodecanamide

3-oxo-N-pyridin-4-yldodecanamide (PubChem CID 118730971) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-oxo-N-pyridin-4-yldodecanamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-4-yldodecanamide
PubChem CID118730971
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-oxo-N-pyridin-4-yldodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1ccncc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-9-16(20)14-17(21)19-15-10-12-18-13-11-15/h10-13H,2-9,14H2,1H3,(H,18,19,21)
InChIKeyYXKULWWVKZSTJX-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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Related Compounds

Pyroxamide
CID 4996
Ximelegatran
CID 448042
N-Pyridin-4-ylacetamide
CID 21288
Y-27632 dihydrochloride
CID 9901617
1-(Pyridin-2-yl)propan-2-one
CID 95910
2-Pyridineacetamide
CID 227129
2-phenyl-N-(pyridin-4-yl)butanamide
CID 427060
Octanedioic acid hydroxyamide pyridin-4-ylamide
CID 10967421
6-amino-N-(pyridin-4-yl)hexanamide hydrochloride
CID 16745846
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
2-cyano-N-(pyridin-4-yl)acetamide
CID 2806410

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-4-yldodecanamide?
The IUPAC name of 3-oxo-N-pyridin-4-yldodecanamide (CID 118730971) is 3-oxo-N-pyridin-4-yldodecanamide.
What is the SMILES notation for 3-oxo-N-pyridin-4-yldodecanamide?
The canonical SMILES for 3-oxo-N-pyridin-4-yldodecanamide is CCCCCCCCCC(=O)CC(=O)Nc1ccncc1.
What is the InChIKey of 3-oxo-N-pyridin-4-yldodecanamide?
The InChIKey is YXKULWWVKZSTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-8-9-16(20)14-17(21)19-15-10-12-18-13-11-15/h10-13H,2-9,14H2,1H3,(H,18,19,21).
What are the key properties of 3-oxo-N-pyridin-4-yldodecanamide?
3-oxo-N-pyridin-4-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-4-yldodecanamide is sourced from PubChem (CID 118730971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).