N-(3-bromophenyl)pyrazine-2-carboxamide

C22H16Br2N6O2 — CID 139196935

IUPACN-(3-bromophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnccn1.O=C(Nc1cccc(Br)c1)c1cnccn1
InChIInChI=1S/2C11H8BrN3O/c2*12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h2*1-7H,(H,15,16)
InChIKeyJVPDRGJRFQFLCH-UHFFFAOYSA-N
MW556.22 g/mol
LogP4.98
Rot. Bonds4

About N-(3-bromophenyl)pyrazine-2-carboxamide

N-(3-bromophenyl)pyrazine-2-carboxamide (PubChem CID 139196935) has the molecular formula C22H16Br2N6O2 and a molecular weight of 556.22 g/mol. Its IUPAC name is N-(3-bromophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)pyrazine-2-carboxamide
PubChem CID139196935
Molecular FormulaC22H16Br2N6O2
Molecular Weight556.22 g/mol
Exact Mass553.97
IUPAC NameN-(3-bromophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnccn1.O=C(Nc1cccc(Br)c1)c1cnccn1
InChIInChI=1S/2C11H8BrN3O/c2*12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h2*1-7H,(H,15,16)
InChIKeyJVPDRGJRFQFLCH-UHFFFAOYSA-N
XLogP4.98
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513988
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
CID 18207978
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)pyrazine-2-carboxamide (CID 139196935) is N-(3-bromophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(Br)c1)c1cnccn1.O=C(Nc1cccc(Br)c1)c1cnccn1.
What is the InChIKey of N-(3-bromophenyl)pyrazine-2-carboxamide?
The InChIKey is JVPDRGJRFQFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8BrN3O/c2*12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h2*1-7H,(H,15,16).
What are the key properties of N-(3-bromophenyl)pyrazine-2-carboxamide?
N-(3-bromophenyl)pyrazine-2-carboxamide has a molecular weight of 556.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 139196935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).