azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C15H21N3O — CID 64561664

IUPACazepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C15H21N3O/c19-15(14-6-2-1-3-8-17-14)18-10-7-13-12(11-18)5-4-9-16-13/h4-5,9,14,17H,1-3,6-8,10-11H2
InChIKeyVYAPIPXEFRAJJE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.50
Rot. Bonds1

About azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 64561664) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID64561664
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Nameazepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C15H21N3O/c19-15(14-6-2-1-3-8-17-14)18-10-7-13-12(11-18)5-4-9-16-13/h4-5,9,14,17H,1-3,6-8,10-11H2
InChIKeyVYAPIPXEFRAJJE-UHFFFAOYSA-N
XLogP1.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 64561664) is azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(C1CCCCCN1)N1CCc2ncccc2C1.
What is the InChIKey of azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is VYAPIPXEFRAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(14-6-2-1-3-8-17-14)18-10-7-13-12(11-18)5-4-9-16-13/h4-5,9,14,17H,1-3,6-8,10-11H2.
What are the key properties of azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 64561664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).