1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone

C16H19N3O3 — CID 141309721

IUPAC1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
SMILESCOc1ccc2nccc(CC(=O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H19N3O3/c1-21-15-5-3-12-16(19-15)10(6-7-18-12)8-13(20)14-4-2-11(17)9-22-14/h3,5-7,11,14H,2,4,8-9,17H2,1H3/t11-,14+/m1/s1
InChIKeyGHVYYAZAFRJFMX-RISCZKNCSA-N
MW301.35 g/mol
LogP1.26
Rot. Bonds4

About 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone

1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone (PubChem CID 141309721) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
PubChem CID141309721
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
SMILESCOc1ccc2nccc(CC(=O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H19N3O3/c1-21-15-5-3-12-16(19-15)10(6-7-18-12)8-13(20)14-4-2-11(17)9-22-14/h3,5-7,11,14H,2,4,8-9,17H2,1H3/t11-,14+/m1/s1
InChIKeyGHVYYAZAFRJFMX-RISCZKNCSA-N
XLogP1.26
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone?
The IUPAC name of 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone (CID 141309721) is 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone.
What is the SMILES notation for 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone?
The canonical SMILES for 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone is COc1ccc2nccc(CC(=O)[C@@H]3CC[C@@H](N)CO3)c2n1.
What is the InChIKey of 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone?
The InChIKey is GHVYYAZAFRJFMX-RISCZKNCSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-15-5-3-12-16(19-15)10(6-7-18-12)8-13(20)14-4-2-11(17)9-22-14/h3,5-7,11,14H,2,4,8-9,17H2,1H3/t11-,14+/m1/s1.
What are the key properties of 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone?
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone has a molecular weight of 301.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone is sourced from PubChem (CID 141309721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).