6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C12H19N5O2 — CID 106963632

IUPAC6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCNCc1nnc(N2CCC3NC(=O)CCC3C2)o1
InChIInChI=1S/C12H19N5O2/c1-13-6-11-15-16-12(19-11)17-5-4-9-8(7-17)2-3-10(18)14-9/h8-9,13H,2-7H2,1H3,(H,14,18)
InChIKeyKAXUGNRIYFGIII-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.11
Rot. Bonds3

About 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 106963632) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID106963632
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCNCc1nnc(N2CCC3NC(=O)CCC3C2)o1
InChIInChI=1S/C12H19N5O2/c1-13-6-11-15-16-12(19-11)17-5-4-9-8(7-17)2-3-10(18)14-9/h8-9,13H,2-7H2,1H3,(H,14,18)
InChIKeyKAXUGNRIYFGIII-UHFFFAOYSA-N
XLogP-0.11
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 106963632) is 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CNCc1nnc(N2CCC3NC(=O)CCC3C2)o1.
What is the InChIKey of 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is KAXUGNRIYFGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-6-11-15-16-12(19-11)17-5-4-9-8(7-17)2-3-10(18)14-9/h8-9,13H,2-7H2,1H3,(H,14,18).
What are the key properties of 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 106963632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).