[(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid

C17H18FN3O5 — CID 71078123

IUPAC[(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid
SMILESCOc1ccc2ncc(F)c(CC(=O)[C@@H]3CC[C@@H](NC(=O)O)CO3)c2n1
InChIInChI=1S/C17H18FN3O5/c1-25-15-5-3-12-16(21-15)10(11(18)7-19-12)6-13(22)14-4-2-9(8-26-14)20-17(23)24/h3,5,7,9,14,20H,2,4,6,8H2,1H3,(H,23,24)/t9-,14+/m1/s1
InChIKeyMXUCSFPJDNWHIB-OTYXRUKQSA-N
MW363.35 g/mol
LogP1.70
Rot. Bonds5

About [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid

[(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid (PubChem CID 71078123) has the molecular formula C17H18FN3O5 and a molecular weight of 363.35 g/mol. Its IUPAC name is [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid
PubChem CID71078123
Molecular FormulaC17H18FN3O5
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name[(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid
SMILESCOc1ccc2ncc(F)c(CC(=O)[C@@H]3CC[C@@H](NC(=O)O)CO3)c2n1
InChIInChI=1S/C17H18FN3O5/c1-25-15-5-3-12-16(21-15)10(11(18)7-19-12)6-13(22)14-4-2-9(8-26-14)20-17(23)24/h3,5,7,9,14,20H,2,4,6,8H2,1H3,(H,23,24)/t9-,14+/m1/s1
InChIKeyMXUCSFPJDNWHIB-OTYXRUKQSA-N
XLogP1.70
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid?
The IUPAC name of [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid (CID 71078123) is [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid?
The canonical SMILES for [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid is COc1ccc2ncc(F)c(CC(=O)[C@@H]3CC[C@@H](NC(=O)O)CO3)c2n1.
What is the InChIKey of [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid?
The InChIKey is MXUCSFPJDNWHIB-OTYXRUKQSA-N. The full InChI is InChI=1S/C17H18FN3O5/c1-25-15-5-3-12-16(21-15)10(11(18)7-19-12)6-13(22)14-4-2-9(8-26-14)20-17(23)24/h3,5,7,9,14,20H,2,4,6,8H2,1H3,(H,23,24)/t9-,14+/m1/s1.
What are the key properties of [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid?
[(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid has a molecular weight of 363.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetyl]oxan-3-yl]carbamic acid is sourced from PubChem (CID 71078123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).