1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

C10H13N3O — CID 69424274

IUPAC1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2ncc(N)cc2C1
InChIInChI=1S/C10H13N3O/c1-7(14)13-3-2-10-8(6-13)4-9(11)5-12-10/h4-5H,2-3,6,11H2,1H3
InChIKeyJJKWGOBARRYBKN-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.57
Rot. Bonds

About 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (PubChem CID 69424274) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
PubChem CID69424274
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2ncc(N)cc2C1
InChIInChI=1S/C10H13N3O/c1-7(14)13-3-2-10-8(6-13)4-9(11)5-12-10/h4-5H,2-3,6,11H2,1H3
InChIKeyJJKWGOBARRYBKN-UHFFFAOYSA-N
XLogP0.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Cambridge id 7111576
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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The IUPAC name of 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (CID 69424274) is 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is CC(=O)N1CCc2ncc(N)cc2C1.
What is the InChIKey of 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The InChIKey is JJKWGOBARRYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(14)13-3-2-10-8(6-13)4-9(11)5-12-10/h4-5H,2-3,6,11H2,1H3.
What are the key properties of 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is sourced from PubChem (CID 69424274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).