3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C14H16N4O — CID 142701574

IUPAC3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc2nccc(N3CC4C(N)C4C3)c2n1
InChIInChI=1S/C14H16N4O/c1-19-12-3-2-10-14(17-12)11(4-5-16-10)18-6-8-9(7-18)13(8)15/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeyQCMMDJLGDSKXQW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.03
Rot. Bonds2

About 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 142701574) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID142701574
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc2nccc(N3CC4C(N)C4C3)c2n1
InChIInChI=1S/C14H16N4O/c1-19-12-3-2-10-14(17-12)11(4-5-16-10)18-6-8-9(7-18)13(8)15/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeyQCMMDJLGDSKXQW-UHFFFAOYSA-N
XLogP1.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 142701574) is 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is COc1ccc2nccc(N3CC4C(N)C4C3)c2n1.
What is the InChIKey of 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is QCMMDJLGDSKXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-12-3-2-10-14(17-12)11(4-5-16-10)18-6-8-9(7-18)13(8)15/h2-5,8-9,13H,6-7,15H2,1H3.
What are the key properties of 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 256.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 142701574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).