N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide

C20H16N4O3 — CID 11717449

IUPACN-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1
InChIInChI=1S/C20H16N4O3/c1-12(25)22-15-4-2-3-13(7-15)18-9-21-10-19(24-18)23-16-6-5-14-11-27-20(26)17(14)8-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyBOJDCYLXQYKJPO-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.52
Rot. Bonds4

About N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide

N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide (PubChem CID 11717449) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide
PubChem CID11717449
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1
InChIInChI=1S/C20H16N4O3/c1-12(25)22-15-4-2-3-13(7-15)18-9-21-10-19(24-18)23-16-6-5-14-11-27-20(26)17(14)8-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyBOJDCYLXQYKJPO-UHFFFAOYSA-N
XLogP3.52
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide (CID 11717449) is N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1.
What is the InChIKey of N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is BOJDCYLXQYKJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12(25)22-15-4-2-3-13(7-15)18-9-21-10-19(24-18)23-16-6-5-14-11-27-20(26)17(14)8-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 360.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(3-oxo-1H-2-benzofuran-5-yl)amino]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11717449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).