3-butoxy-6-fluoropyrazine-2-carboxamide

C9H12FN3O2 — CID 71488414

IUPAC3-butoxy-6-fluoropyrazine-2-carboxamide
SMILESCCCCOc1ncc(F)nc1C(N)=O
InChIInChI=1S/C9H12FN3O2/c1-2-3-4-15-9-7(8(11)14)13-6(10)5-12-9/h5H,2-4H2,1H3,(H2,11,14)
InChIKeyGXXSRFORYVAICC-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.89
Rot. Bonds5

About 3-butoxy-6-fluoropyrazine-2-carboxamide

3-butoxy-6-fluoropyrazine-2-carboxamide (PubChem CID 71488414) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-butoxy-6-fluoropyrazine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-6-fluoropyrazine-2-carboxamide
PubChem CID71488414
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name3-butoxy-6-fluoropyrazine-2-carboxamide
SMILESCCCCOc1ncc(F)nc1C(N)=O
InChIInChI=1S/C9H12FN3O2/c1-2-3-4-15-9-7(8(11)14)13-6(10)5-12-9/h5H,2-4H2,1H3,(H2,11,14)
InChIKeyGXXSRFORYVAICC-UHFFFAOYSA-N
XLogP0.89
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-fluoropyrazine-2-carboxamide?
The IUPAC name of 3-butoxy-6-fluoropyrazine-2-carboxamide (CID 71488414) is 3-butoxy-6-fluoropyrazine-2-carboxamide.
What is the SMILES notation for 3-butoxy-6-fluoropyrazine-2-carboxamide?
The canonical SMILES for 3-butoxy-6-fluoropyrazine-2-carboxamide is CCCCOc1ncc(F)nc1C(N)=O.
What is the InChIKey of 3-butoxy-6-fluoropyrazine-2-carboxamide?
The InChIKey is GXXSRFORYVAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-2-3-4-15-9-7(8(11)14)13-6(10)5-12-9/h5H,2-4H2,1H3,(H2,11,14).
What are the key properties of 3-butoxy-6-fluoropyrazine-2-carboxamide?
3-butoxy-6-fluoropyrazine-2-carboxamide has a molecular weight of 213.21 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-fluoropyrazine-2-carboxamide is sourced from PubChem (CID 71488414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).