(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol

C19H25N3O4 — CID 87729430

IUPAC(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
SMILESCOc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](N)[C@@H](C[C@@H](O)CO)O3)c2n1
InChIInChI=1S/C19H25N3O4/c1-25-18-7-6-16-19(22-18)12(8-9-21-16)2-3-14-4-5-15(20)17(26-14)10-13(24)11-23/h2-3,6-9,13-15,17,23-24H,4-5,10-11,20H2,1H3/b3-2+/t13-,14-,15-,17-/m1/s1
InChIKeySBYPAQQNQQIMCL-BTSULSGWSA-N
MW359.43 g/mol
LogP1.27
Rot. Bonds6

About (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol

(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol (PubChem CID 87729430) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
PubChem CID87729430
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
SMILESCOc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](N)[C@@H](C[C@@H](O)CO)O3)c2n1
InChIInChI=1S/C19H25N3O4/c1-25-18-7-6-16-19(22-18)12(8-9-21-16)2-3-14-4-5-15(20)17(26-14)10-13(24)11-23/h2-3,6-9,13-15,17,23-24H,4-5,10-11,20H2,1H3/b3-2+/t13-,14-,15-,17-/m1/s1
InChIKeySBYPAQQNQQIMCL-BTSULSGWSA-N
XLogP1.27
TPSA110.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol (CID 87729430) is (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol is COc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](N)[C@@H](C[C@@H](O)CO)O3)c2n1.
What is the InChIKey of (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol?
The InChIKey is SBYPAQQNQQIMCL-BTSULSGWSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-18-7-6-16-19(22-18)12(8-9-21-16)2-3-14-4-5-15(20)17(26-14)10-13(24)11-23/h2-3,6-9,13-15,17,23-24H,4-5,10-11,20H2,1H3/b3-2+/t13-,14-,15-,17-/m1/s1.
What are the key properties of (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol?
(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol has a molecular weight of 359.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol is sourced from PubChem (CID 87729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).