1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one

C16H21N3O4 — CID 66734307

IUPAC1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H21N3O4/c1-22-14-6-2-10-3-7-15(21)19(16(10)18-14)8-12(20)13-5-4-11(17)9-23-13/h2-3,6-7,11-13,20H,4-5,8-9,17H2,1H3/t11-,12+,13+/m1/s1
InChIKeyKTAMNKCXTOBNNR-AGIUHOORSA-N
MW319.36 g/mol
LogP0.27
Rot. Bonds4

About 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one

1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one (PubChem CID 66734307) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
PubChem CID66734307
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H21N3O4/c1-22-14-6-2-10-3-7-15(21)19(16(10)18-14)8-12(20)13-5-4-11(17)9-23-13/h2-3,6-7,11-13,20H,4-5,8-9,17H2,1H3/t11-,12+,13+/m1/s1
InChIKeyKTAMNKCXTOBNNR-AGIUHOORSA-N
XLogP0.27
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one (CID 66734307) is 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one is COc1ccc2ccc(=O)n(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1.
What is the InChIKey of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
The InChIKey is KTAMNKCXTOBNNR-AGIUHOORSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-22-14-6-2-10-3-7-15(21)19(16(10)18-14)8-12(20)13-5-4-11(17)9-23-13/h2-3,6-7,11-13,20H,4-5,8-9,17H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one has a molecular weight of 319.36 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 66734307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).