N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

C13H12N4O2 — CID 154655443

IUPACN-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNc1cnc(NC(=O)c2cccc3c2OCC3)cn1
InChIInChI=1S/C13H12N4O2/c14-10-6-16-11(7-15-10)17-13(18)9-3-1-2-8-4-5-19-12(8)9/h1-3,6-7H,4-5H2,(H2,14,15)(H,16,17,18)
InChIKeyDJCHTXWOVKEUPM-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.25
Rot. Bonds2

About N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 154655443) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID154655443
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNc1cnc(NC(=O)c2cccc3c2OCC3)cn1
InChIInChI=1S/C13H12N4O2/c14-10-6-16-11(7-15-10)17-13(18)9-3-1-2-8-4-5-19-12(8)9/h1-3,6-7H,4-5H2,(H2,14,15)(H,16,17,18)
InChIKeyDJCHTXWOVKEUPM-UHFFFAOYSA-N
XLogP1.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 154655443) is N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide is Nc1cnc(NC(=O)c2cccc3c2OCC3)cn1.
What is the InChIKey of N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is DJCHTXWOVKEUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-10-6-16-11(7-15-10)17-13(18)9-3-1-2-8-4-5-19-12(8)9/h1-3,6-7H,4-5H2,(H2,14,15)(H,16,17,18).
What are the key properties of N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 154655443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).