N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide

C14H13BrFN3O — CID 52571820

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)Cc2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H13BrFN3O/c1-9-6-18-13(7-17-9)14(20)19(2)8-10-5-11(15)3-4-12(10)16/h3-7H,8H2,1-2H3
InChIKeyAMVSYBAVKGXDTJ-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.96
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide (PubChem CID 52571820) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide
PubChem CID52571820
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)Cc2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H13BrFN3O/c1-9-6-18-13(7-17-9)14(20)19(2)8-10-5-11(15)3-4-12(10)16/h3-7H,8H2,1-2H3
InChIKeyAMVSYBAVKGXDTJ-UHFFFAOYSA-N
XLogP2.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide (CID 52571820) is N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(C)Cc2cc(Br)ccc2F)cn1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is AMVSYBAVKGXDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-9-6-18-13(7-17-9)14(20)19(2)8-10-5-11(15)3-4-12(10)16/h3-7H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 338.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 52571820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).