methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

C15H25N3O — CID 176923857

IUPACmethane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESC.CN1CC(CCN2CCc3[nH]ccc(=O)c3C2)C1
InChIInChI=1S/C14H21N3O.CH4/c1-16-8-11(9-16)3-6-17-7-4-13-12(10-17)14(18)2-5-15-13;/h2,5,11H,3-4,6-10H2,1H3,(H,15,18);1H4
InChIKeyWOHQGNYUUBRIGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.32
Rot. Bonds3

About methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (PubChem CID 176923857) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Namemethane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
PubChem CID176923857
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Namemethane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESC.CN1CC(CCN2CCc3[nH]ccc(=O)c3C2)C1
InChIInChI=1S/C14H21N3O.CH4/c1-16-8-11(9-16)3-6-17-7-4-13-12(10-17)14(18)2-5-15-13;/h2,5,11H,3-4,6-10H2,1H3,(H,15,18);1H4
InChIKeyWOHQGNYUUBRIGL-UHFFFAOYSA-N
XLogP1.32
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The IUPAC name of methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (CID 176923857) is methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.
What is the SMILES notation for methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The canonical SMILES for methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is C.CN1CC(CCN2CCc3[nH]ccc(=O)c3C2)C1.
What is the InChIKey of methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The InChIKey is WOHQGNYUUBRIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.CH4/c1-16-8-11(9-16)3-6-17-7-4-13-12(10-17)14(18)2-5-15-13;/h2,5,11H,3-4,6-10H2,1H3,(H,15,18);1H4.
What are the key properties of methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one has a molecular weight of 263.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 176923857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).