N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide

C13H10BrN3O3 — CID 26902972

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1cnccn1
InChIInChI=1S/C13H10BrN3O3/c14-8-5-11-12(20-4-3-19-11)6-9(8)17-13(18)10-7-15-1-2-16-10/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyDRVQDEORBKZZHV-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.26
Rot. Bonds2

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide (PubChem CID 26902972) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide
PubChem CID26902972
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1cnccn1
InChIInChI=1S/C13H10BrN3O3/c14-8-5-11-12(20-4-3-19-11)6-9(8)17-13(18)10-7-15-1-2-16-10/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyDRVQDEORBKZZHV-UHFFFAOYSA-N
XLogP2.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide
CID 61292718
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 46409815
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 3121391
(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrazine-2-carbonylamino)propanoic acid
CID 146266894

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide (CID 26902972) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide is O=C(Nc1cc2c(cc1Br)OCCO2)c1cnccn1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide?
The InChIKey is DRVQDEORBKZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-8-5-11-12(20-4-3-19-11)6-9(8)17-13(18)10-7-15-1-2-16-10/h1-2,5-7H,3-4H2,(H,17,18).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide has a molecular weight of 336.15 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 26902972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).