1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one

C14H21N3O2 — CID 43259775

IUPAC1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one
SMILESNc1ccc(=O)n(CCN2CCCCCCC2=O)c1
InChIInChI=1S/C14H21N3O2/c15-12-6-7-14(19)17(11-12)10-9-16-8-4-2-1-3-5-13(16)18/h6-7,11H,1-5,8-10,15H2
InChIKeyWKTYBQXUKIKCLE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.22
Rot. Bonds3

About 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one

1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one (PubChem CID 43259775) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one
PubChem CID43259775
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one
SMILESNc1ccc(=O)n(CCN2CCCCCCC2=O)c1
InChIInChI=1S/C14H21N3O2/c15-12-6-7-14(19)17(11-12)10-9-16-8-4-2-1-3-5-13(16)18/h6-7,11H,1-5,8-10,15H2
InChIKeyWKTYBQXUKIKCLE-UHFFFAOYSA-N
XLogP1.22
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one?
The IUPAC name of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one (CID 43259775) is 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one.
What is the SMILES notation for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one?
The canonical SMILES for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one is Nc1ccc(=O)n(CCN2CCCCCCC2=O)c1.
What is the InChIKey of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one?
The InChIKey is WKTYBQXUKIKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-6-7-14(19)17(11-12)10-9-16-8-4-2-1-3-5-13(16)18/h6-7,11H,1-5,8-10,15H2.
What are the key properties of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one?
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one is sourced from PubChem (CID 43259775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).