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

C15H14N4O4 — CID 651350

IUPACN-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cc2c(cc1NC(=O)c1cnccn1)OCCO2
InChIInChI=1S/C15H14N4O4/c1-9(20)18-10-6-13-14(23-5-4-22-13)7-11(10)19-15(21)12-8-16-2-3-17-12/h2-3,6-8H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyIDRSQTCUXAAQNX-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.46
Rot. Bonds3

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

N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide (PubChem CID 651350) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
PubChem CID651350
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cc2c(cc1NC(=O)c1cnccn1)OCCO2
InChIInChI=1S/C15H14N4O4/c1-9(20)18-10-6-13-14(23-5-4-22-13)7-11(10)19-15(21)12-8-16-2-3-17-12/h2-3,6-8H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyIDRSQTCUXAAQNX-UHFFFAOYSA-N
XLogP1.46
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide (CID 651350) is N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide is CC(=O)Nc1cc2c(cc1NC(=O)c1cnccn1)OCCO2.
What is the InChIKey of N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The InChIKey is IDRSQTCUXAAQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-9(20)18-10-6-13-14(23-5-4-22-13)7-11(10)19-15(21)12-8-16-2-3-17-12/h2-3,6-8H,4-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 651350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).