(pyridin-3-ylamino) decanoate

C15H24N2O2 — CID 150161934

IUPAC(pyridin-3-ylamino) decanoate
SMILESCCCCCCCCCC(=O)ONc1cccnc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-8-11-15(18)19-17-14-10-9-12-16-13-14/h9-10,12-13,17H,2-8,11H2,1H3
InChIKeyFHPXVYZOZBRDEQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.09
Rot. Bonds10

About (pyridin-3-ylamino) decanoate

(pyridin-3-ylamino) decanoate (PubChem CID 150161934) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (pyridin-3-ylamino) decanoate.

Molecular Properties

Compound Name(pyridin-3-ylamino) decanoate
PubChem CID150161934
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(pyridin-3-ylamino) decanoate
SMILESCCCCCCCCCC(=O)ONc1cccnc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-8-11-15(18)19-17-14-10-9-12-16-13-14/h9-10,12-13,17H,2-8,11H2,1H3
InChIKeyFHPXVYZOZBRDEQ-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (pyridin-3-ylamino) decanoate?
The IUPAC name of (pyridin-3-ylamino) decanoate (CID 150161934) is (pyridin-3-ylamino) decanoate.
What is the SMILES notation for (pyridin-3-ylamino) decanoate?
The canonical SMILES for (pyridin-3-ylamino) decanoate is CCCCCCCCCC(=O)ONc1cccnc1.
What is the InChIKey of (pyridin-3-ylamino) decanoate?
The InChIKey is FHPXVYZOZBRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-8-11-15(18)19-17-14-10-9-12-16-13-14/h9-10,12-13,17H,2-8,11H2,1H3.
What are the key properties of (pyridin-3-ylamino) decanoate?
(pyridin-3-ylamino) decanoate has a molecular weight of 264.37 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridin-3-ylamino) decanoate is sourced from PubChem (CID 150161934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).