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

C20H25N5O3 — CID 160749132

IUPACmolecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)c1.[H][H]
InChIInChI=1S/C20H23N5O3.H2/c21-18(27)15-3-1-2-14(10-15)16-11-22-19-20(23-16)25(12-17(26)24-19)7-4-13-5-8-28-9-6-13;/h1-3,10-11,13H,4-9,12H2,(H2,21,27)(H,22,24,26);1H
InChIKeyRWOUBJUHPLGJSR-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.06
Rot. Bonds5

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

molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide (PubChem CID 160749132) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Namemolecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
PubChem CID160749132
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Namemolecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)c1.[H][H]
InChIInChI=1S/C20H23N5O3.H2/c21-18(27)15-3-1-2-14(10-15)16-11-22-19-20(23-16)25(12-17(26)24-19)7-4-13-5-8-28-9-6-13;/h1-3,10-11,13H,4-9,12H2,(H2,21,27)(H,22,24,26);1H
InChIKeyRWOUBJUHPLGJSR-UHFFFAOYSA-N
XLogP2.06
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide
CID 46214724
2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66715890
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-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215037
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-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine
CID 67367016
(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-[[(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
3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide
CID 141345390
3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
CID 126475128
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 156755797

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
The IUPAC name of molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide (CID 160749132) is molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide.
What is the SMILES notation for molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
The canonical SMILES for molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)c1.[H][H].
What is the InChIKey of molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
The InChIKey is RWOUBJUHPLGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.H2/c21-18(27)15-3-1-2-14(10-15)16-11-22-19-20(23-16)25(12-17(26)24-19)7-4-13-5-8-28-9-6-13;/h1-3,10-11,13H,4-9,12H2,(H2,21,27)(H,22,24,26);1H.
What are the key properties of molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide?
molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-[8-[2-(oxan-4-yl)ethyl]-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]benzamide is sourced from PubChem (CID 160749132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).