3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

C27H25N5O2 — CID 25106430

IUPAC3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc4c3oc3ccccc34)n2)c1
InChIInChI=1S/C27H25N5O2/c1-32(2)14-13-29-27(33)18-8-5-7-17(15-18)22-16-30-26(28)24(31-22)21-11-6-10-20-19-9-3-4-12-23(19)34-25(20)21/h3-12,15-16H,13-14H2,1-2H3,(H2,28,30)(H,29,33)
InChIKeyLSRGOOQXRJROBT-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.58
Rot. Bonds6

About 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 25106430) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID25106430
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc4c3oc3ccccc34)n2)c1
InChIInChI=1S/C27H25N5O2/c1-32(2)14-13-29-27(33)18-8-5-7-17(15-18)22-16-30-26(28)24(31-22)21-11-6-10-20-19-9-3-4-12-23(19)34-25(20)21/h3-12,15-16H,13-14H2,1-2H3,(H2,28,30)(H,29,33)
InChIKeyLSRGOOQXRJROBT-UHFFFAOYSA-N
XLogP4.58
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (CID 25106430) is 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc4c3oc3ccccc34)n2)c1.
What is the InChIKey of 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is LSRGOOQXRJROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-32(2)14-13-29-27(33)18-8-5-7-17(15-18)22-16-30-26(28)24(31-22)21-11-6-10-20-19-9-3-4-12-23(19)34-25(20)21/h3-12,15-16H,13-14H2,1-2H3,(H2,28,30)(H,29,33).
What are the key properties of 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 25106430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).