3-(2-pyridin-3-ylethylamino)azepan-2-one

C13H19N3O — CID 60914794

IUPAC3-(2-pyridin-3-ylethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCCc1cccnc1
InChIInChI=1S/C13H19N3O/c17-13-12(5-1-2-8-16-13)15-9-6-11-4-3-7-14-10-11/h3-4,7,10,12,15H,1-2,5-6,8-9H2,(H,16,17)
InChIKeyUWQONJFUDHDGBO-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.88
Rot. Bonds4

About 3-(2-pyridin-3-ylethylamino)azepan-2-one

3-(2-pyridin-3-ylethylamino)azepan-2-one (PubChem CID 60914794) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylethylamino)azepan-2-one.

Molecular Properties

Compound Name3-(2-pyridin-3-ylethylamino)azepan-2-one
PubChem CID60914794
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2-pyridin-3-ylethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCCc1cccnc1
InChIInChI=1S/C13H19N3O/c17-13-12(5-1-2-8-16-13)15-9-6-11-4-3-7-14-10-11/h3-4,7,10,12,15H,1-2,5-6,8-9H2,(H,16,17)
InChIKeyUWQONJFUDHDGBO-UHFFFAOYSA-N
XLogP0.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-3-ylethylamino)piperidin-2-one
CID 63264736
3-(2-phenylethylamino)azepan-2-one
CID 43199237
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842143
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 103777301

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylethylamino)azepan-2-one?
The IUPAC name of 3-(2-pyridin-3-ylethylamino)azepan-2-one (CID 60914794) is 3-(2-pyridin-3-ylethylamino)azepan-2-one.
What is the SMILES notation for 3-(2-pyridin-3-ylethylamino)azepan-2-one?
The canonical SMILES for 3-(2-pyridin-3-ylethylamino)azepan-2-one is O=C1NCCCCC1NCCc1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylethylamino)azepan-2-one?
The InChIKey is UWQONJFUDHDGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-12(5-1-2-8-16-13)15-9-6-11-4-3-7-14-10-11/h3-4,7,10,12,15H,1-2,5-6,8-9H2,(H,16,17).
What are the key properties of 3-(2-pyridin-3-ylethylamino)azepan-2-one?
3-(2-pyridin-3-ylethylamino)azepan-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylethylamino)azepan-2-one is sourced from PubChem (CID 60914794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).