N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide

C13H12FN3O — CID 2453993

IUPACN-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H12FN3O/c1-9-6-16-12(8-15-9)13(18)17-7-10-2-4-11(14)5-3-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeySEXBEICSKGFMIY-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.85
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 2453993) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID2453993
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H12FN3O/c1-9-6-16-12(8-15-9)13(18)17-7-10-2-4-11(14)5-3-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeySEXBEICSKGFMIY-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.85
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]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide (CID 2453993) is N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is SEXBEICSKGFMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-9-6-16-12(8-15-9)13(18)17-7-10-2-4-11(14)5-3-10/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 1.85, 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]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 2453993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).