4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide

C20H23N5O3 — CID 46214724

IUPAC4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cc1
InChIInChI=1S/C20H23N5O3/c21-18(27)15-3-1-14(2-4-15)16-11-22-19-20(23-16)25(12-17(26)24-19)8-5-13-6-9-28-10-7-13/h1-4,11,13H,5-10,12H2,(H2,21,27)(H,22,24,26)
InChIKeyYYCCSEJFVHRTKT-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.82
Rot. Bonds5

About 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide

4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide (PubChem CID 46214724) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
PubChem CID46214724
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cc1
InChIInChI=1S/C20H23N5O3/c21-18(27)15-3-1-14(2-4-15)16-11-22-19-20(23-16)25(12-17(26)24-19)8-5-13-6-9-28-10-7-13/h1-4,11,13H,5-10,12H2,(H2,21,27)(H,22,24,26)
InChIKeyYYCCSEJFVHRTKT-UHFFFAOYSA-N
XLogP1.82
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
CID 160749132
2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66715890
2-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215037
molecular hydrogen;8-[2-(oxan-4-yl)ethyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 159876397
2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215563
3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453066
8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46214722
(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
CID 59453120
8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine
CID 67367016
8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 158826689
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215382
3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 86304077

Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide (CID 46214724) is 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cc1.
What is the InChIKey of 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
The InChIKey is YYCCSEJFVHRTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c21-18(27)15-3-1-14(2-4-15)16-11-22-19-20(23-16)25(12-17(26)24-19)8-5-13-6-9-28-10-7-13/h1-4,11,13H,5-10,12H2,(H2,21,27)(H,22,24,26).
What are the key properties of 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide is sourced from PubChem (CID 46214724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).