N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide

C13H12BrN3O — CID 49003633

IUPACN-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1Br)c1cnccn1
InChIInChI=1S/C13H12BrN3O/c14-11-4-2-1-3-10(11)5-6-17-13(18)12-9-15-7-8-16-12/h1-4,7-9H,5-6H2,(H,17,18)
InChIKeyHPLYFJZXHQSSHZ-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide

N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 49003633) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID49003633
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1Br)c1cnccn1
InChIInChI=1S/C13H12BrN3O/c14-11-4-2-1-3-10(11)5-6-17-13(18)12-9-15-7-8-16-12/h1-4,7-9H,5-6H2,(H,17,18)
InChIKeyHPLYFJZXHQSSHZ-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51091511
5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
CID 115116754
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide (CID 49003633) is N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccccc1Br)c1cnccn1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is HPLYFJZXHQSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-11-4-2-1-3-10(11)5-6-17-13(18)12-9-15-7-8-16-12/h1-4,7-9H,5-6H2,(H,17,18).
What are the key properties of N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 49003633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).