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

C13H11N3O3 — CID 695351

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnccn1
InChIInChI=1S/C13H11N3O3/c17-13(10-8-14-3-4-15-10)16-9-1-2-11-12(7-9)19-6-5-18-11/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyRMSMPKCSURUXEQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.50
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide (PubChem CID 695351) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
PubChem CID695351
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnccn1
InChIInChI=1S/C13H11N3O3/c17-13(10-8-14-3-4-15-10)16-9-1-2-11-12(7-9)19-6-5-18-11/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyRMSMPKCSURUXEQ-UHFFFAOYSA-N
XLogP1.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 3121391
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide
CID 26902972
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide
CID 9464716
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985432
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213214
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide (CID 695351) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cnccn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The InChIKey is RMSMPKCSURUXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(10-8-14-3-4-15-10)16-9-1-2-11-12(7-9)19-6-5-18-11/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 695351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).