benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate

C17H16FN3O4 — CID 166160237

IUPACbenzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate
SMILESO=C1COC(c2cc(NC(=O)OCc3ccccc3)c(F)cn2)CN1
InChIInChI=1S/C17H16FN3O4/c18-12-7-19-14(15-8-20-16(22)10-24-15)6-13(12)21-17(23)25-9-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,20,22)(H,19,21,23)
InChIKeyIMCUWRBYMRQXLF-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.16
Rot. Bonds4

About benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate

benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate (PubChem CID 166160237) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate
PubChem CID166160237
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Namebenzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate
SMILESO=C1COC(c2cc(NC(=O)OCc3ccccc3)c(F)cn2)CN1
InChIInChI=1S/C17H16FN3O4/c18-12-7-19-14(15-8-20-16(22)10-24-15)6-13(12)21-17(23)25-9-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,20,22)(H,19,21,23)
InChIKeyIMCUWRBYMRQXLF-UHFFFAOYSA-N
XLogP2.16
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate?
The IUPAC name of benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate (CID 166160237) is benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate is O=C1COC(c2cc(NC(=O)OCc3ccccc3)c(F)cn2)CN1.
What is the InChIKey of benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate?
The InChIKey is IMCUWRBYMRQXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-12-7-19-14(15-8-20-16(22)10-24-15)6-13(12)21-17(23)25-9-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,20,22)(H,19,21,23).
What are the key properties of benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate?
benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate has a molecular weight of 345.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-fluoro-2-(5-oxomorpholin-2-yl)-4-pyridinyl]carbamate is sourced from PubChem (CID 166160237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).