N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C12H10FN3O — CID 862108

IUPACN-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C12H10FN3O/c13-10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)
InChIKeyQGJBSTLGTXEAKD-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.55
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 862108) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID862108
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC NameN-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C12H10FN3O/c13-10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)
InChIKeyQGJBSTLGTXEAKD-UHFFFAOYSA-N
XLogP1.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 862108) is N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cnccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is QGJBSTLGTXEAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 231.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 862108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).