2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide

C14H14FN3O3 — CID 175704405

IUPAC2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide
SMILESCC(C(N)=O)c1cnc(Oc2ccc(F)cc2CO)cn1
InChIInChI=1S/C14H14FN3O3/c1-8(14(16)20)11-5-18-13(6-17-11)21-12-3-2-10(15)4-9(12)7-19/h2-6,8,19H,7H2,1H3,(H2,16,20)
InChIKeyDNLLBJYOKFVFMI-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.49
Rot. Bonds5

About 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide

2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide (PubChem CID 175704405) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide
PubChem CID175704405
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide
SMILESCC(C(N)=O)c1cnc(Oc2ccc(F)cc2CO)cn1
InChIInChI=1S/C14H14FN3O3/c1-8(14(16)20)11-5-18-13(6-17-11)21-12-3-2-10(15)4-9(12)7-19/h2-6,8,19H,7H2,1H3,(H2,16,20)
InChIKeyDNLLBJYOKFVFMI-UHFFFAOYSA-N
XLogP1.49
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide?
The IUPAC name of 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide (CID 175704405) is 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide?
The canonical SMILES for 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide is CC(C(N)=O)c1cnc(Oc2ccc(F)cc2CO)cn1.
What is the InChIKey of 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide?
The InChIKey is DNLLBJYOKFVFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-8(14(16)20)11-5-18-13(6-17-11)21-12-3-2-10(15)4-9(12)7-19/h2-6,8,19H,7H2,1H3,(H2,16,20).
What are the key properties of 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide?
2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide has a molecular weight of 291.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]pyrazin-2-yl]propanamide is sourced from PubChem (CID 175704405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).